6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

C20H25NO3 — CID 3598114

IUPAC6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H25NO3/c22-19(17-8-4-5-9-18(17)20(23)24)21-12-10-16(11-13-21)14-15-6-2-1-3-7-15/h1-7,16-18H,8-14H2,(H,23,24)
InChIKeyROMRGVRAGUOOTR-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.13
Rot. Bonds4

About 6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 3598114) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID3598114
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H25NO3/c22-19(17-8-4-5-9-18(17)20(23)24)21-12-10-16(11-13-21)14-15-6-2-1-3-7-15/h1-7,16-18H,8-14H2,(H,23,24)
InChIKeyROMRGVRAGUOOTR-UHFFFAOYSA-N
XLogP3.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-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

Mitiglinide
CID 121891
1-(2-Phenylacetyl)piperidine-4-carboxylic acid
CID 280747
1-(3-Phenylpropanoyl)piperidine-4-carboxylic acid
CID 2813193
6-{[(4-Phenylbutyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid
CID 2932841
1-{4-Oxo-4-[(4-phenylbutan-2-yl)amino]butanoyl}piperidine-4-carboxylic acid
CID 16466297
N-(1-Methyl-piperidin-4-yl)-N-phenethyl-succinamic acid
CID 24746964
6-[(4-Benzyl-1-piperazinyl)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
CID 2912153
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid
CID 3047758
2-[(4-Phenylbutyl)carbamoyl]cyclohexanecarboxylic acid
CID 650565
4-Oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyric acid
CID 757169
6-Phenethylcarbamoyl-cyclohex-3-enecarboxylic acid
CID 2900767
6-[(4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 2946760

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid (CID 3598114) is 6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=CCC1C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is ROMRGVRAGUOOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c22-19(17-8-4-5-9-18(17)20(23)24)21-12-10-16(11-13-21)14-15-6-2-1-3-7-15/h1-7,16-18H,8-14H2,(H,23,24).
What are the key properties of 6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 327.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 3598114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).