3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide

C32H33F2N3O — CID 20608977

IUPAC3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide
SMILESN#Cc1cccc(-c2ccc(C3(CCC(=O)Nc4cc(F)cc(F)c4)CCN(C4CCCC4)CC3)cc2)c1
InChIInChI=1S/C32H33F2N3O/c33-27-19-28(34)21-29(20-27)36-31(38)12-13-32(14-16-37(17-15-32)30-6-1-2-7-30)26-10-8-24(9-11-26)25-5-3-4-23(18-25)22-35/h3-5,8-11,18-21,30H,1-2,6-7,12-17H2,(H,36,38)
InChIKeyFJLGKUVQHVCSRB-UHFFFAOYSA-N
MW513.63 g/mol
LogP7.20
Rot. Bonds7

About 3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide

3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide (PubChem CID 20608977) has the molecular formula C32H33F2N3O and a molecular weight of 513.63 g/mol. Its IUPAC name is 3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide
PubChem CID20608977
Molecular FormulaC32H33F2N3O
Molecular Weight513.63 g/mol
Exact Mass513.26
IUPAC Name3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide
SMILESN#Cc1cccc(-c2ccc(C3(CCC(=O)Nc4cc(F)cc(F)c4)CCN(C4CCCC4)CC3)cc2)c1
InChIInChI=1S/C32H33F2N3O/c33-27-19-28(34)21-29(20-27)36-31(38)12-13-32(14-16-37(17-15-32)30-6-1-2-7-30)26-10-8-24(9-11-26)25-5-3-4-23(18-25)22-35/h3-5,8-11,18-21,30H,1-2,6-7,12-17H2,(H,36,38)
InChIKeyFJLGKUVQHVCSRB-UHFFFAOYSA-N
XLogP7.20
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.63
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide?
The IUPAC name of 3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide (CID 20608977) is 3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide.
What is the SMILES notation for 3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide?
The canonical SMILES for 3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide is N#Cc1cccc(-c2ccc(C3(CCC(=O)Nc4cc(F)cc(F)c4)CCN(C4CCCC4)CC3)cc2)c1.
What is the InChIKey of 3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide?
The InChIKey is FJLGKUVQHVCSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N3O/c33-27-19-28(34)21-29(20-27)36-31(38)12-13-32(14-16-37(17-15-32)30-6-1-2-7-30)26-10-8-24(9-11-26)25-5-3-4-23(18-25)22-35/h3-5,8-11,18-21,30H,1-2,6-7,12-17H2,(H,36,38).
What are the key properties of 3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide?
3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide has a molecular weight of 513.63 g/mol, XLogP of 7.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]-N-(3,5-difluorophenyl)propanamide is sourced from PubChem (CID 20608977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).