N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide

C15H19N5O3S — CID 146124574

IUPACN-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2ncn(-c3ccccc3)n2)C1
InChIInChI=1S/C15H19N5O3S/c1-24(22,23)19-9-5-6-12(10-19)17-15(21)14-16-11-20(18-14)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,17,21)
InChIKeyCWPPBMVAGSWNON-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.42
Rot. Bonds4

About N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide

N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 146124574) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID146124574
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)c2ncn(-c3ccccc3)n2)C1
InChIInChI=1S/C15H19N5O3S/c1-24(22,23)19-9-5-6-12(10-19)17-15(21)14-16-11-20(18-14)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,17,21)
InChIKeyCWPPBMVAGSWNON-UHFFFAOYSA-N
XLogP0.42
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880791
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
1-(4-fluorophenyl)-5-methyl-N-(1-methylsulfonylpiperidin-3-yl)-1,2,4-triazole-3-carboxamide
CID 47909220
5-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119182612
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
cis-(1R,3S)-3-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677931
N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
CID 47403736
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133
N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692501
2-[2-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119182608
N-(1-methylsulfonylpiperidin-3-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 47908934
1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide
CID 146086459

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 146124574) is N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide is CS(=O)(=O)N1CCCC(NC(=O)c2ncn(-c3ccccc3)n2)C1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is CWPPBMVAGSWNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-24(22,23)19-9-5-6-12(10-19)17-15(21)14-16-11-20(18-14)13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,17,21).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 146124574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).