1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

C27H33N3O2 — CID 110247282

IUPAC1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C27H33N3O2/c1-2-29-26(32)27(14-18-30(19-15-27)25(31)22-8-4-3-5-9-22)20-23-10-6-7-11-24(23)21-12-16-28-17-13-21/h3-4,6-7,10-13,16-17,22H,2,5,8-9,14-15,18-20H2,1H3,(H,29,32)
InChIKeyNZEHZHQKIUJICN-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.39
Rot. Bonds6

About 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110247282) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110247282
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C27H33N3O2/c1-2-29-26(32)27(14-18-30(19-15-27)25(31)22-8-4-3-5-9-22)20-23-10-6-7-11-24(23)21-12-16-28-17-13-21/h3-4,6-7,10-13,16-17,22H,2,5,8-9,14-15,18-20H2,1H3,(H,29,32)
InChIKeyNZEHZHQKIUJICN-UHFFFAOYSA-N
XLogP4.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide 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-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083448
(3S)-1-(cyclohexanecarbonyl)-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579143
1-(2-cyclopentylacetyl)-N-ethyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620728
(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591895
(3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591819
(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]-N-prop-2-enyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92548557
1-(cyclohexanecarbonyl)-N-ethyl-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805756
1-(cyclohex-3-ene-1-carbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155982797
(3R)-1-acetyl-N-(2-methylpropyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579132
(3R)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591833
1-(cyclopentanecarbonyl)-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231007
N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 136854647

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (CID 110247282) is 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CC=CCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is NZEHZHQKIUJICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-2-29-26(32)27(14-18-30(19-15-27)25(31)22-8-4-3-5-9-22)20-23-10-6-7-11-24(23)21-12-16-28-17-13-21/h3-4,6-7,10-13,16-17,22H,2,5,8-9,14-15,18-20H2,1H3,(H,29,32).
What are the key properties of 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110247282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).