1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride

C18H25ClFN5O — CID 120556336

IUPAC1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCC(C)c1nc(C(=O)NC2CCNCC2C)nn1-c1ccccc1F.Cl
InChIInChI=1S/C18H24FN5O.ClH/c1-11(2)17-22-16(18(25)21-14-8-9-20-10-12(14)3)23-24(17)15-7-5-4-6-13(15)19;/h4-7,11-12,14,20H,8-10H2,1-3H3,(H,21,25);1H
InChIKeyIQEFMZSGFZOZQG-UHFFFAOYSA-N
MW381.88 g/mol
LogP2.68
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride

1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride (PubChem CID 120556336) has the molecular formula C18H25ClFN5O and a molecular weight of 381.88 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
PubChem CID120556336
Molecular FormulaC18H25ClFN5O
Molecular Weight381.88 g/mol
Exact Mass381.17
IUPAC Name1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCC(C)c1nc(C(=O)NC2CCNCC2C)nn1-c1ccccc1F.Cl
InChIInChI=1S/C18H24FN5O.ClH/c1-11(2)17-22-16(18(25)21-14-8-9-20-10-12(14)3)23-24(17)15-7-5-4-6-13(15)19;/h4-7,11-12,14,20H,8-10H2,1-3H3,(H,21,25);1H
InChIKeyIQEFMZSGFZOZQG-UHFFFAOYSA-N
XLogP2.68
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

1-(2-fluorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 119557786
1-(2-chlorophenyl)-5-cyclopropyl-N-(3-methylpiperidin-4-yl)-1,2,4-triazole-3-carboxamide
CID 120556967
1-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 120573415
N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 120554536
1-(2-fluorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 120882636
1-(2-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 110000868
N-(1-amino-4-methylpentan-2-yl)-1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119587509
1,4-diazepan-1-yl-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone
CID 119416977
[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545347
7-methyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 120557804
5,7-dimethyl-N-(3-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 120554342
N-[2-(4-aminophenyl)ethyl]-1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 119548863

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride (CID 120556336) is 1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride is CC(C)c1nc(C(=O)NC2CCNCC2C)nn1-c1ccccc1F.Cl.
What is the InChIKey of 1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride?
The InChIKey is IQEFMZSGFZOZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O.ClH/c1-11(2)17-22-16(18(25)21-14-8-9-20-10-12(14)3)23-24(17)15-7-5-4-6-13(15)19;/h4-7,11-12,14,20H,8-10H2,1-3H3,(H,21,25);1H.
What are the key properties of 1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride?
1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride has a molecular weight of 381.88 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120556336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).