2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride

C17H22ClF2N5O — CID 120642449

IUPAC2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
SMILESCC(C(=O)Nc1nc(C2CCNCC2)nn1C)c1c(F)cccc1F.Cl
InChIInChI=1S/C17H21F2N5O.ClH/c1-10(14-12(18)4-3-5-13(14)19)16(25)22-17-21-15(23-24(17)2)11-6-8-20-9-7-11;/h3-5,10-11,20H,6-9H2,1-2H3,(H,21,22,23,25);1H
InChIKeyFOPQRQNVPWVBEP-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.72
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride

2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride (PubChem CID 120642449) has the molecular formula C17H22ClF2N5O and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
PubChem CID120642449
Molecular FormulaC17H22ClF2N5O
Molecular Weight385.85 g/mol
Exact Mass385.15
IUPAC Name2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
SMILESCC(C(=O)Nc1nc(C2CCNCC2)nn1C)c1c(F)cccc1F.Cl
InChIInChI=1S/C17H21F2N5O.ClH/c1-10(14-12(18)4-3-5-13(14)19)16(25)22-17-21-15(23-24(17)2)11-6-8-20-9-7-11;/h3-5,10-11,20H,6-9H2,1-2H3,(H,21,22,23,25);1H
InChIKeyFOPQRQNVPWVBEP-UHFFFAOYSA-N
XLogP2.72
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride 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 2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride (CID 120642449) is 2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride is CC(C(=O)Nc1nc(C2CCNCC2)nn1C)c1c(F)cccc1F.Cl.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The InChIKey is FOPQRQNVPWVBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O.ClH/c1-10(14-12(18)4-3-5-13(14)19)16(25)22-17-21-15(23-24(17)2)11-6-8-20-9-7-11;/h3-5,10-11,20H,6-9H2,1-2H3,(H,21,22,23,25);1H.
What are the key properties of 2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride has a molecular weight of 385.85 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120642449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).