1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide

C23H32N2O2 — CID 42865370

IUPAC1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CC(c2ccc(CC)cc2)CN(C(=O)C2CCCC2)C1
InChIInChI=1S/C23H32N2O2/c1-3-13-24-22(26)21-14-20(18-11-9-17(4-2)10-12-18)15-25(16-21)23(27)19-7-5-6-8-19/h3,9-12,19-21H,1,4-8,13-16H2,2H3,(H,24,26)
InChIKeyXAAVRWTYHPBGDE-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.67
Rot. Bonds6

About 1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide

1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 42865370) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID42865370
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CC(c2ccc(CC)cc2)CN(C(=O)C2CCCC2)C1
InChIInChI=1S/C23H32N2O2/c1-3-13-24-22(26)21-14-20(18-11-9-17(4-2)10-12-18)15-25(16-21)23(27)19-7-5-6-8-19/h3,9-12,19-21H,1,4-8,13-16H2,2H3,(H,24,26)
InChIKeyXAAVRWTYHPBGDE-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92995377
ethyl 1-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 46065240
[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl] hydrogen carbonate
CID 66701395
methyl 1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]piperidine-3-carboximidate
CID 143810858
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide
CID 46931307
(5-bromo-2-pyridinyl) N-[1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)piperidin-3-yl]carbamate
CID 66701321
(3S,5R)-5-(4-ethylphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 92994964
5-(4-ethylphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 46065084
(3R,5R)-1-(cyclopentanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92996862
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996848

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide (CID 42865370) is 1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)C1CC(c2ccc(CC)cc2)CN(C(=O)C2CCCC2)C1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is XAAVRWTYHPBGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-3-13-24-22(26)21-14-20(18-11-9-17(4-2)10-12-18)15-25(16-21)23(27)19-7-5-6-8-19/h3,9-12,19-21H,1,4-8,13-16H2,2H3,(H,24,26).
What are the key properties of 1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide?
1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 42865370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).