(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide

C24H27FN2O2 — CID 42567058

IUPAC(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C24H27FN2O2/c25-21-9-3-7-19(15-21)17-10-12-22(13-11-17)26-23(28)20-8-4-14-27(16-20)24(29)18-5-1-2-6-18/h3,7,9-13,15,18,20H,1-2,4-6,8,14,16H2,(H,26,28)/t20-/m0/s1
InChIKeySVCMJPBAHRVYKE-FQEVSTJZSA-N
MW394.49 g/mol
LogP4.86
Rot. Bonds4

About (3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide

(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide (PubChem CID 42567058) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is (3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
PubChem CID42567058
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C24H27FN2O2/c25-21-9-3-7-19(15-21)17-10-12-22(13-11-17)26-23(28)20-8-4-14-27(16-20)24(29)18-5-1-2-6-18/h3,7,9-13,15,18,20H,1-2,4-6,8,14,16H2,(H,26,28)/t20-/m0/s1
InChIKeySVCMJPBAHRVYKE-FQEVSTJZSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
CID 45212597
N-[4-(3-fluorophenyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 45208634
methyl 4-[(3S)-3-[[4-(3-fluorophenyl)phenyl]carbamoyl]piperidin-1-yl]-4-oxobutanoate
CID 26327809
(3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 26334195
N-[4-(3-fluorophenyl)phenyl]-1-(2-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 56700889
(3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 42522383
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
N-[4-(3-fluorophenyl)phenyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide
CID 72838343
(3R)-N-[4-(3-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
CID 26397760
(3R)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-phenylpiperidine-3-carboxamide
CID 95085728

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide (CID 42567058) is (3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(C(=O)C2CCCC2)C1.
What is the InChIKey of (3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide?
The InChIKey is SVCMJPBAHRVYKE-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27FN2O2/c25-21-9-3-7-19(15-21)17-10-12-22(13-11-17)26-23(28)20-8-4-14-27(16-20)24(29)18-5-1-2-6-18/h3,7,9-13,15,18,20H,1-2,4-6,8,14,16H2,(H,26,28)/t20-/m0/s1.
What are the key properties of (3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide?
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 42567058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).