2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride

C15H19ClFN5O — CID 120576916

IUPAC2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cnn(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C15H18FN5O.ClH/c1-10-13(3-2-8-17-10)19-15(22)14-9-18-21(20-14)12-6-4-11(16)5-7-12;/h4-7,9-10,13,17H,2-3,8H2,1H3,(H,19,22);1H
InChIKeyWNQKDRYIQBDUPX-UHFFFAOYSA-N
MW339.80 g/mol
LogP1.70
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride

2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride (PubChem CID 120576916) has the molecular formula C15H19ClFN5O and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
PubChem CID120576916
Molecular FormulaC15H19ClFN5O
Molecular Weight339.80 g/mol
Exact Mass339.13
IUPAC Name2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cnn(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C15H18FN5O.ClH/c1-10-13(3-2-8-17-10)19-15(22)14-9-18-21(20-14)12-6-4-11(16)5-7-12;/h4-7,9-10,13,17H,2-3,8H2,1H3,(H,19,22);1H
InChIKeyWNQKDRYIQBDUPX-UHFFFAOYSA-N
XLogP1.70
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119512213
5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
CID 120576822
2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575467
N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 120573393
N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120577775
1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79044134
2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide
CID 120573390
3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 120576442
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119535740
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
1-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120575377
2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120576827

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride (CID 120576916) is 2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride is CC1NCCCC1NC(=O)c1cnn(-c2ccc(F)cc2)n1.Cl.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride?
The InChIKey is WNQKDRYIQBDUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O.ClH/c1-10-13(3-2-8-17-10)19-15(22)14-9-18-21(20-14)12-6-4-11(16)5-7-12;/h4-7,9-10,13,17H,2-3,8H2,1H3,(H,19,22);1H.
What are the key properties of 2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride?
2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride has a molecular weight of 339.80 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120576916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).