N-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide

C32H33ClFN3O — CID 20609018

IUPACN-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide
SMILESN#Cc1cccc(-c2ccc(C3(CCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1
InChIInChI=1S/C32H33ClFN3O/c33-29-21-27(12-13-30(29)34)36-31(38)14-15-32(16-18-37(19-17-32)28-6-1-2-7-28)26-10-8-24(9-11-26)25-5-3-4-23(20-25)22-35/h3-5,8-13,20-21,28H,1-2,6-7,14-19H2,(H,36,38)
InChIKeyXIWVUFWFJPGJBC-UHFFFAOYSA-N
MW530.09 g/mol
LogP7.71
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide

N-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide (PubChem CID 20609018) has the molecular formula C32H33ClFN3O and a molecular weight of 530.09 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide
PubChem CID20609018
Molecular FormulaC32H33ClFN3O
Molecular Weight530.09 g/mol
Exact Mass529.23
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide
SMILESN#Cc1cccc(-c2ccc(C3(CCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1
InChIInChI=1S/C32H33ClFN3O/c33-29-21-27(12-13-30(29)34)36-31(38)14-15-32(16-18-37(19-17-32)28-6-1-2-7-28)26-10-8-24(9-11-26)25-5-3-4-23(20-25)22-35/h3-5,8-13,20-21,28H,1-2,6-7,14-19H2,(H,36,38)
InChIKeyXIWVUFWFJPGJBC-UHFFFAOYSA-N
XLogP7.71
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.09
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide (CID 20609018) is N-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide is N#Cc1cccc(-c2ccc(C3(CCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide?
The InChIKey is XIWVUFWFJPGJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClFN3O/c33-29-21-27(12-13-30(29)34)36-31(38)14-15-32(16-18-37(19-17-32)28-6-1-2-7-28)26-10-8-24(9-11-26)25-5-3-4-23(20-25)22-35/h3-5,8-13,20-21,28H,1-2,6-7,14-19H2,(H,36,38).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide?
N-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide has a molecular weight of 530.09 g/mol, XLogP of 7.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]propanamide is sourced from PubChem (CID 20609018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).