1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid

C14H23NO3 — CID 43183394

IUPAC1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C14H23NO3/c16-13(10-11-4-2-1-3-5-11)15-8-6-12(7-9-15)14(17)18/h11-12H,1-10H2,(H,17,18)
InChIKeyNLOQMYLAUKMLDI-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.28
Rot. Bonds3

About 1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid

1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid (PubChem CID 43183394) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
PubChem CID43183394
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C14H23NO3/c16-13(10-11-4-2-1-3-5-11)15-8-6-12(7-9-15)14(17)18/h11-12H,1-10H2,(H,17,18)
InChIKeyNLOQMYLAUKMLDI-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyclohexylacetyl)piperidine-4-carboxylic 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-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
1-(2-cyclopropylacetyl)pyrrolidine-3-carboxylic acid
CID 63007289
1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138
1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 58615983
3-[1-(2-cyclohexylacetyl)piperidin-4-yl]propanoic acid
CID 62217126
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
1-[2-(4,4-dimethylcyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
CID 120533851
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid (CID 43183394) is 1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of 1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid?
The InChIKey is NLOQMYLAUKMLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(10-11-4-2-1-3-5-11)15-8-6-12(7-9-15)14(17)18/h11-12H,1-10H2,(H,17,18).
What are the key properties of 1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid?
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43183394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).