N-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide

C31H32ClFN4O — CID 10152726

IUPACN-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide
SMILESN#Cc1ccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)cc1
InChIInChI=1S/C31H32ClFN4O/c32-28-19-26(13-14-29(28)33)36-30(38)21-35-31(15-17-37(18-16-31)27-3-1-2-4-27)25-11-9-24(10-12-25)23-7-5-22(20-34)6-8-23/h5-14,19,27,35H,1-4,15-18,21H2,(H,36,38)
InChIKeyKMERXLGXPALCEO-UHFFFAOYSA-N
MW531.08 g/mol
LogP6.48
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide (PubChem CID 10152726) has the molecular formula C31H32ClFN4O and a molecular weight of 531.08 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide
PubChem CID10152726
Molecular FormulaC31H32ClFN4O
Molecular Weight531.08 g/mol
Exact Mass530.22
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide
SMILESN#Cc1ccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)cc1
InChIInChI=1S/C31H32ClFN4O/c32-28-19-26(13-14-29(28)33)36-30(38)21-35-31(15-17-37(18-16-31)27-3-1-2-4-27)25-11-9-24(10-12-25)23-7-5-22(20-34)6-8-23/h5-14,19,27,35H,1-4,15-18,21H2,(H,36,38)
InChIKeyKMERXLGXPALCEO-UHFFFAOYSA-N
XLogP6.48
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.08
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide (CID 10152726) is N-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide is N#Cc1ccc(-c2ccc(C3(NCC(=O)Nc4ccc(F)c(Cl)c4)CCN(C4CCCC4)CC3)cc2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide?
The InChIKey is KMERXLGXPALCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClFN4O/c32-28-19-26(13-14-29(28)33)36-30(38)21-35-31(15-17-37(18-16-31)27-3-1-2-4-27)25-11-9-24(10-12-25)23-7-5-22(20-34)6-8-23/h5-14,19,27,35H,1-4,15-18,21H2,(H,36,38).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide has a molecular weight of 531.08 g/mol, XLogP of 6.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[[4-[4-(4-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide is sourced from PubChem (CID 10152726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).