N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide

C18H20F3N3O — CID 136539226

IUPACN-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide
SMILESN#Cc1ccc(N2CCCC(NC(=O)C3CCC(F)(F)C3)C2)c(F)c1
InChIInChI=1S/C18H20F3N3O/c19-15-8-12(10-22)3-4-16(15)24-7-1-2-14(11-24)23-17(25)13-5-6-18(20,21)9-13/h3-4,8,13-14H,1-2,5-7,9,11H2,(H,23,25)
InChIKeyGKURICNFJHLTKQ-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.22
Rot. Bonds3

About N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide

N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 136539226) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide
PubChem CID136539226
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC NameN-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide
SMILESN#Cc1ccc(N2CCCC(NC(=O)C3CCC(F)(F)C3)C2)c(F)c1
InChIInChI=1S/C18H20F3N3O/c19-15-8-12(10-22)3-4-16(15)24-7-1-2-14(11-24)23-17(25)13-5-6-18(20,21)9-13/h3-4,8,13-14H,1-2,5-7,9,11H2,(H,23,25)
InChIKeyGKURICNFJHLTKQ-UHFFFAOYSA-N
XLogP3.22
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide 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-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide (CID 136539226) is N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide is N#Cc1ccc(N2CCCC(NC(=O)C3CCC(F)(F)C3)C2)c(F)c1.
What is the InChIKey of N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide?
The InChIKey is GKURICNFJHLTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c19-15-8-12(10-22)3-4-16(15)24-7-1-2-14(11-24)23-17(25)13-5-6-18(20,21)9-13/h3-4,8,13-14H,1-2,5-7,9,11H2,(H,23,25).
What are the key properties of N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide?
N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 136539226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).