2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid

C15H25NO3 — CID 79552951

IUPAC2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCCCC1C1CCCCC1=O
InChIInChI=1S/C15H25NO3/c1-2-12(15(18)19)16-10-6-5-8-13(16)11-7-3-4-9-14(11)17/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyPQTDKLVDOGYSPN-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.46
Rot. Bonds4

About 2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid

2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid (PubChem CID 79552951) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid
PubChem CID79552951
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCCCC1C1CCCCC1=O
InChIInChI=1S/C15H25NO3/c1-2-12(15(18)19)16-10-6-5-8-13(16)11-7-3-4-9-14(11)17/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyPQTDKLVDOGYSPN-UHFFFAOYSA-N
XLogP2.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Cyclohexyl-2-oxoacetyl)piperidine-2-carboxylic acid
CID 9860139
(2S)-3-cyclohexyl-2-(diethylamino)propanoic acid
CID 54107487
(2S)-2-cyclohexyl-2-[methyl(3-methylbutyl)amino]acetic acid
CID 58605335
(2R)-3-cyclohexyl-2-[methyl(2-oxopropyl)amino]propanoic acid
CID 59900099
2-(1-acetyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)acetic acid
CID 59945908
2-(3-acetyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)acetic acid
CID 59945973
2-Cyclohexyl-2-(4-methylpiperazin-1-yl)acetic acid
CID 65421630
3-Cyclohexyl-2-(diethylamino)propanoic acid
CID 67669463
1-(4-Oxopiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 69352996
1-(3-Oxopentyl)-4-propylpiperidine-2-carboxylic acid
CID 69626383
1,4,6-Trimethylpiperidine-2-carboxylic acid
CID 141794045
1-[2-(3-Methylcyclohexyl)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 144759617

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid?
The IUPAC name of 2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid (CID 79552951) is 2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for 2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid is CCC(C(=O)O)N1CCCCC1C1CCCCC1=O.
What is the InChIKey of 2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid?
The InChIKey is PQTDKLVDOGYSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-12(15(18)19)16-10-6-5-8-13(16)11-7-3-4-9-14(11)17/h11-13H,2-10H2,1H3,(H,18,19).
What are the key properties of 2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid?
2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 79552951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).