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

C21H27FN2O2 — CID 55778987

IUPAC1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)CC2C=CCC2)CC1
InChIInChI=1S/C21H27FN2O2/c22-19-8-4-3-7-17(19)9-12-23-21(26)18-10-13-24(14-11-18)20(25)15-16-5-1-2-6-16/h1,3-5,7-8,16,18H,2,6,9-15H2,(H,23,26)
InChIKeyRIGLUFSCRBGEBW-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.08
Rot. Bonds6

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

1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 55778987) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID55778987
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CCN(C(=O)CC2C=CCC2)CC1
InChIInChI=1S/C21H27FN2O2/c22-19-8-4-3-7-17(19)9-12-23-21(26)18-10-13-24(14-11-18)20(25)15-16-5-1-2-6-16/h1,3-5,7-8,16,18H,2,6,9-15H2,(H,23,26)
InChIKeyRIGLUFSCRBGEBW-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.08
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

1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
2-cyclopent-2-en-1-yl-1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]ethanone
CID 122133256
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 55779186
N-[2-(2-fluorophenyl)ethyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 55778984
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55778891
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
1-[2-(2-fluorophenyl)acetyl]-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 113004677
N-[2-(2-fluorophenyl)ethyl]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 55738783

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 55778987) is 1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is O=C(NCCc1ccccc1F)C1CCN(C(=O)CC2C=CCC2)CC1.
What is the InChIKey of 1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is RIGLUFSCRBGEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c22-19-8-4-3-7-17(19)9-12-23-21(26)18-10-13-24(14-11-18)20(25)15-16-5-1-2-6-16/h1,3-5,7-8,16,18H,2,6,9-15H2,(H,23,26).
What are the key properties of 1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-(2-cyclopent-2-en-1-ylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.08, 6 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-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55778987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).