N-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide

C24H28F2N2O — CID 134796735

IUPACN-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1
InChIInChI=1S/C24H28F2N2O/c25-20-10-11-22(23(26)14-20)18-6-3-5-17(13-18)15-28-12-4-7-19(16-28)24(29)27-21-8-1-2-9-21/h3,5-6,10-11,13-14,19,21H,1-2,4,7-9,12,15-16H2,(H,27,29)
InChIKeyOJXPGFXIQRGFMH-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.90
Rot. Bonds5

About N-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide

N-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 134796735) has the molecular formula C24H28F2N2O and a molecular weight of 398.50 g/mol. Its IUPAC name is N-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID134796735
Molecular FormulaC24H28F2N2O
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1
InChIInChI=1S/C24H28F2N2O/c25-20-10-11-22(23(26)14-20)18-6-3-5-17(13-18)15-28-12-4-7-19(16-28)24(29)27-21-8-1-2-9-21/h3,5-6,10-11,13-14,19,21H,1-2,4,7-9,12,15-16H2,(H,27,29)
InChIKeyOJXPGFXIQRGFMH-UHFFFAOYSA-N
XLogP4.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide (CID 134796735) is N-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NC1CCCC1)C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1.
What is the InChIKey of N-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is OJXPGFXIQRGFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O/c25-20-10-11-22(23(26)14-20)18-6-3-5-17(13-18)15-28-12-4-7-19(16-28)24(29)27-21-8-1-2-9-21/h3,5-6,10-11,13-14,19,21H,1-2,4,7-9,12,15-16H2,(H,27,29).
What are the key properties of N-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide?
N-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[[3-(2,4-difluorophenyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 134796735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).