N-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide

C13H14FN3O2 — CID 71859745

IUPACN-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)N1CCC(O)CC1
InChIInChI=1S/C13H14FN3O2/c14-10-1-2-12(9(7-10)8-15)16-13(19)17-5-3-11(18)4-6-17/h1-2,7,11,18H,3-6H2,(H,16,19)
InChIKeyWPTWCCXGIVWVDW-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.69
Rot. Bonds1

About N-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide

N-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide (PubChem CID 71859745) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
PubChem CID71859745
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)N1CCC(O)CC1
InChIInChI=1S/C13H14FN3O2/c14-10-1-2-12(9(7-10)8-15)16-13(19)17-5-3-11(18)4-6-17/h1-2,7,11,18H,3-6H2,(H,16,19)
InChIKeyWPTWCCXGIVWVDW-UHFFFAOYSA-N
XLogP1.69
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-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-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide (CID 71859745) is N-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide is N#Cc1cc(F)ccc1NC(=O)N1CCC(O)CC1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is WPTWCCXGIVWVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-10-1-2-12(9(7-10)8-15)16-13(19)17-5-3-11(18)4-6-17/h1-2,7,11,18H,3-6H2,(H,16,19).
What are the key properties of N-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide?
N-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 263.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 71859745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).