2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide

C22H24FN5O — CID 120644678

IUPAC2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3nc(C4CCNCC4)nn3C)c(F)c2)cc1
InChIInChI=1S/C22H24FN5O/c1-14-3-5-15(6-4-14)17-7-8-18(19(23)13-17)21(29)26-22-25-20(27-28(22)2)16-9-11-24-12-10-16/h3-8,13,16,24H,9-12H2,1-2H3,(H,25,26,27,29)
InChIKeyPJBQHXWZXMYBNT-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.65
Rot. Bonds4

About 2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide

2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide (PubChem CID 120644678) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
PubChem CID120644678
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3nc(C4CCNCC4)nn3C)c(F)c2)cc1
InChIInChI=1S/C22H24FN5O/c1-14-3-5-15(6-4-14)17-7-8-18(19(23)13-17)21(29)26-22-25-20(27-28(22)2)16-9-11-24-12-10-16/h3-8,13,16,24H,9-12H2,1-2H3,(H,25,26,27,29)
InChIKeyPJBQHXWZXMYBNT-UHFFFAOYSA-N
XLogP3.65
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643936
3-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120643486
4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120643297
3-chloro-4-fluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643990
2-chloro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 120643347
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132
3-chloro-5-fluoro-2-hydroxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120641658
3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-methylsulfonylbenzamide
CID 120643414
5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784
1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide
CID 120643324
3-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642245

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide (CID 120644678) is 2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide is Cc1ccc(-c2ccc(C(=O)Nc3nc(C4CCNCC4)nn3C)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is PJBQHXWZXMYBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-14-3-5-15(6-4-14)17-7-8-18(19(23)13-17)21(29)26-22-25-20(27-28(22)2)16-9-11-24-12-10-16/h3-8,13,16,24H,9-12H2,1-2H3,(H,25,26,27,29).
What are the key properties of 2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide?
2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 393.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 120644678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).