1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide

C25H29FN2O2 — CID 110232836

IUPAC1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C25H29FN2O2/c26-22-11-4-10-21(15-22)20-9-3-6-18(14-20)16-25(24(27)30)12-5-13-28(17-25)23(29)19-7-1-2-8-19/h3-4,6,9-11,14-15,19H,1-2,5,7-8,12-13,16-17H2,(H2,27,30)
InChIKeyIZKCWBNXYSXTCW-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.32
Rot. Bonds5

About 1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide

1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 110232836) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID110232836
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC Name1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C25H29FN2O2/c26-22-11-4-10-21(15-22)20-9-3-6-18(14-20)16-25(24(27)30)12-5-13-28(17-25)23(29)19-7-1-2-8-19/h3-4,6,9-11,14-15,19H,1-2,5,7-8,12-13,16-17H2,(H2,27,30)
InChIKeyIZKCWBNXYSXTCW-UHFFFAOYSA-N
XLogP4.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
CID 92569611
(3R)-1-(cyclohexanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569632
(3R)-1-(cyclobutanecarbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569662
(3R)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
CID 92569616
3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 110232839
(3R)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[3-(5-methylpyrazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 92562726
(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-N-methyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidine-3-carboxamide
CID 95848804
1-(cyclopentanecarbonyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083956
N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243986
1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232207
(3R)-1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579562
(3S)-1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579563

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide (CID 110232836) is 1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)C2CCCC2)C1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is IZKCWBNXYSXTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c26-22-11-4-10-21(15-22)20-9-3-6-18(14-20)16-25(24(27)30)12-5-13-28(17-25)23(29)19-7-1-2-8-19/h3-4,6,9-11,14-15,19H,1-2,5,7-8,12-13,16-17H2,(H2,27,30).
What are the key properties of 1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide?
1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).