1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid

C18H23NO3 — CID 3500347

IUPAC1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(C2CCCCC2)C1c1ccccc1
InChIInChI=1S/C18H23NO3/c20-16-12-11-15(18(21)22)17(13-7-3-1-4-8-13)19(16)14-9-5-2-6-10-14/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2,(H,21,22)
InChIKeyWFSJXMMBWGEBAN-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.38
Rot. Bonds3

About 1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid

1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid (PubChem CID 3500347) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid
PubChem CID3500347
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(C2CCCCC2)C1c1ccccc1
InChIInChI=1S/C18H23NO3/c20-16-12-11-15(18(21)22)17(13-7-3-1-4-8-13)19(16)14-9-5-2-6-10-14/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2,(H,21,22)
InChIKeyWFSJXMMBWGEBAN-UHFFFAOYSA-N
XLogP3.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-6-oxo-2-phenylpiperidine-3-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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The IUPAC name of 1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid (CID 3500347) is 1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(C2CCCCC2)C1c1ccccc1.
What is the InChIKey of 1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid?
The InChIKey is WFSJXMMBWGEBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-16-12-11-15(18(21)22)17(13-7-3-1-4-8-13)19(16)14-9-5-2-6-10-14/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2,(H,21,22).
What are the key properties of 1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid?
1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-oxo-2-phenylpiperidine-3-carboxylic acid is sourced from PubChem (CID 3500347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).