6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

C15H23NO3 — CID 2930708

IUPAC6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCCC1CCCCN1C(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C15H23NO3/c1-2-11-7-5-6-10-16(11)14(17)12-8-3-4-9-13(12)15(18)19/h3-4,11-13H,2,5-10H2,1H3,(H,18,19)
InChIKeyNXTVQPHDKPQPPA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.44
Rot. Bonds3

About 6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 2930708) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID2930708
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCCC1CCCCN1C(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C15H23NO3/c1-2-11-7-5-6-10-16(11)14(17)12-8-3-4-9-13(12)15(18)19/h3-4,11-13H,2,5-10H2,1H3,(H,18,19)
InChIKeyNXTVQPHDKPQPPA-UHFFFAOYSA-N
XLogP2.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(2-ethylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid (CID 2930708) is 6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is CCC1CCCCN1C(=O)C1CC=CCC1C(=O)O.
What is the InChIKey of 6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is NXTVQPHDKPQPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-11-7-5-6-10-16(11)14(17)12-8-3-4-9-13(12)15(18)19/h3-4,11-13H,2,5-10H2,1H3,(H,18,19).
What are the key properties of 6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 2930708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).