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

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Related Compounds

2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid
CID 79553334
N-butan-2-yl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79537615
ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate
CID 79546859
N-ethyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79545380
2-[1-(2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one
CID 79553644
2-[2-(2-oxocyclopentyl)piperidin-1-yl]-N-propan-2-ylpropanamide
CID 79544722
N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
CID 79546445
N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79538902
N-butan-2-yl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide
CID 79543793
2-(1-butanoylpiperidin-2-yl)cyclopentan-1-one
CID 79545289
ethyl (2S)-2-[(3aR,8aS)-4-oxo-2,3,3a,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-1-yl]propanoate
CID 82017413
2-(2-carbamothioylpiperidin-1-yl)butanoic acid
CID 64662154

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).