1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide

C28H33FN2O2 — CID 155982799

IUPAC1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)CC2C=CCC2)CC1
InChIInChI=1S/C28H33FN2O2/c1-2-30-27(33)28(14-16-31(17-15-28)26(32)18-21-8-3-4-9-21)20-23-10-5-6-13-25(23)22-11-7-12-24(29)19-22/h3,5-8,10-13,19,21H,2,4,9,14-18,20H2,1H3,(H,30,33)
InChIKeyASNRQTWFXPRCBH-UHFFFAOYSA-N
MW448.58 g/mol
LogP5.14
Rot. Bonds7

About 1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide

1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 155982799) has the molecular formula C28H33FN2O2 and a molecular weight of 448.58 g/mol. Its IUPAC name is 1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID155982799
Molecular FormulaC28H33FN2O2
Molecular Weight448.58 g/mol
Exact Mass448.25
IUPAC Name1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)CC2C=CCC2)CC1
InChIInChI=1S/C28H33FN2O2/c1-2-30-27(33)28(14-16-31(17-15-28)26(32)18-21-8-3-4-9-21)20-23-10-5-6-13-25(23)22-11-7-12-24(29)19-22/h3,5-8,10-13,19,21H,2,4,9,14-18,20H2,1H3,(H,30,33)
InChIKeyASNRQTWFXPRCBH-UHFFFAOYSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.58
LogP ≤ 55.14
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

4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide
CID 132779067
1-(2-cyclopentylacetyl)-N-ethyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620728
1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155982803
1-(3,3-dimethylbutanoyl)-N-ethyl-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 129459434
N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 110230945
1-(cyclohex-3-ene-1-carbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155982797
(3R)-1-butanoyl-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92586237
1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230948
1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110247282
1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083448
2-cyclopent-2-en-1-yl-1-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 71979323
1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155982795

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide (CID 155982799) is 1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide is CCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)CC2C=CCC2)CC1.
What is the InChIKey of 1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is ASNRQTWFXPRCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN2O2/c1-2-30-27(33)28(14-16-31(17-15-28)26(32)18-21-8-3-4-9-21)20-23-10-5-6-13-25(23)22-11-7-12-24(29)19-22/h3,5-8,10-13,19,21H,2,4,9,14-18,20H2,1H3,(H,30,33).
What are the key properties of 1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide?
1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 448.58 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155982799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).