3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide

C15H19N5O — CID 107067553

IUPAC3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H19N5O/c1-11-3-2-8-17-14(11)15(21)19-12-4-6-13(7-5-12)20-10-16-9-18-20/h4-7,9-11,14,17H,2-3,8H2,1H3,(H,19,21)
InChIKeyFASAHADEWJLZFF-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.59
Rot. Bonds3

About 3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide

3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide (PubChem CID 107067553) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
PubChem CID107067553
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C15H19N5O/c1-11-3-2-8-17-14(11)15(21)19-12-4-6-13(7-5-12)20-10-16-9-18-20/h4-7,9-11,14,17H,2-3,8H2,1H3,(H,19,21)
InChIKeyFASAHADEWJLZFF-UHFFFAOYSA-N
XLogP1.59
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 71942875
3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide
CID 107067422
N-(4-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 55060316
2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxamide
CID 64822786
3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-2-carboxamide
CID 107067527
N-(4-ethylsulfonylphenyl)-3-methylpiperidine-2-carboxamide
CID 107067354
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 114262076
N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107068566
3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102778074
N-(1H-indazol-6-yl)-3-methylpiperidine-2-carboxamide
CID 107067459
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60945171

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide (CID 107067553) is 3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide is CC1CCCNC1C(=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of 3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is FASAHADEWJLZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-3-2-8-17-14(11)15(21)19-12-4-6-13(7-5-12)20-10-16-9-18-20/h4-7,9-11,14,17H,2-3,8H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide?
3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 107067553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).