N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide

C15H18FN3O — CID 82016419

IUPACN-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide
SMILESN#Cc1cc(F)ccc1NC(=O)CCC1CCNCC1
InChIInChI=1S/C15H18FN3O/c16-13-2-3-14(12(9-13)10-17)19-15(20)4-1-11-5-7-18-8-6-11/h2-3,9,11,18H,1,4-8H2,(H,19,20)
InChIKeyKBVUQFYVFXLDCR-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.42
Rot. Bonds4

About N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide

N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide (PubChem CID 82016419) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide
PubChem CID82016419
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide
SMILESN#Cc1cc(F)ccc1NC(=O)CCC1CCNCC1
InChIInChI=1S/C15H18FN3O/c16-13-2-3-14(12(9-13)10-17)19-15(20)4-1-11-5-7-18-8-6-11/h2-3,9,11,18H,1,4-8H2,(H,19,20)
InChIKeyKBVUQFYVFXLDCR-UHFFFAOYSA-N
XLogP2.42
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide 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)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide (CID 82016419) is N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide is N#Cc1cc(F)ccc1NC(=O)CCC1CCNCC1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is KBVUQFYVFXLDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-2-3-14(12(9-13)10-17)19-15(20)4-1-11-5-7-18-8-6-11/h2-3,9,11,18H,1,4-8H2,(H,19,20).
What are the key properties of N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide?
N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 275.33 g/mol, XLogP of 2.42, 4 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)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 82016419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).