3-Aminopiperidin-2-one

Details

• Internal ID: dd41c303-c96d-4323-a50a-7908f952abc9
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid amides
• IUPAC Name: 3-aminopiperidin-2-one
• SMILES (Canonical): C1CC(C(=O)NC1)N
• SMILES (Isomeric): C1CC(C(=O)NC1)N
• InChI: InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)
• InChI Key: YCCMTCQQDULIFE-UHFFFAOYSA-N
• Popularity: 34 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₁₀N₂O
• Molecular Weight: 114.15 g/mol
• Exact Mass: 114.079312947 g/mol
• Topological Polar Surface Area (TPSA): 55.10 Ų
• XlogP: -0.80

Synonyms

• 1892-22-4
• 3-amino-2-Piperidinone
• 3-Amino-2-piperidone
• cyclo-ornithine
• 2-Piperidinone, 3-amino-
• 3-aminopiperidine-2-one
• 3-AMINO-PIPERIDIN-2-ONE
• MFCD06809610
• MFCD09258624
• Ornithine N5-lactam
• 4-Cholenicacid-3-one
• Ornithine-1,5-lactam
• 2-Amino-d-valerolactam
• (S)-3-Aminopiperidin-2-onehydrochloride
• 2-Amino-delta-Valerolactam
• (S)-3-Amino-2-piperidinon
• SCHEMBL633799
• (+)-3-Aminopiperidin-2-one
• AMY769
• CERAPP_29756
• CHEBI:76341
• DTXSID30409421
• DTXSID90862775
• (R)-(+)-3-Amino-2-piperidinon
• (S)-(-)-3-Amino-2-piperidinon
• CS-D0182
• 3-aminotetrahydro-2(1H)-pyridinone
• 3-Aminopiperidin-2-one, AldrichCPR
• AKOS000265611
• AKOS016343936
• AB45380
• AB49759
• GS-4401
• SB42954
• HY-21088
• SY005643
• SY005645
• A4178
• BB 0253699
• FT-0648807
• FT-0656710
• FT-0770468
• (+/-)-2-PROPYLPIPERIDINEHYDROCHLORIDE
• EN300-60035
• A854132
• J-502448
• J-511558
• 11404F96-1F7C-4FD0-8C1F-DAE3DD5C5DEF
• Q27145898

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3137262	O60341	LSD1/CoREST complex	97.56%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.92%	91.11%
CHEMBL3384	Q16512	Protein kinase N1	89.80%	80.71%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.59%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.81%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.80%	92.94%
CHEMBL2693	Q9UIQ6	Cystinyl aminopeptidase	83.02%	97.64%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	82.14%	93.04%
CHEMBL5103	Q969S8	Histone deacetylase 10	81.94%	90.08%
CHEMBL4979	P13866	Sodium/glucose cotransporter 1	81.28%	98.24%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	81.14%	93.03%
CHEMBL2581	P07339	Cathepsin D	80.41%	98.95%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 5200225
• LOTUS: LTS0270611
• wikiData: Q27145898