N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide

C15H19N5O — CID 114696468

IUPACN-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide
SMILESCC1(NC(=O)c2cnn(-c3ccccc3)n2)CCNCC1
InChIInChI=1S/C15H19N5O/c1-15(7-9-16-10-8-15)18-14(21)13-11-17-20(19-13)12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H,18,21)
InChIKeyCJPPABGWGQCIJU-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.14
Rot. Bonds3

About N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide

N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide (PubChem CID 114696468) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide
PubChem CID114696468
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide
SMILESCC1(NC(=O)c2cnn(-c3ccccc3)n2)CCNCC1
InChIInChI=1S/C15H19N5O/c1-15(7-9-16-10-8-15)18-14(21)13-11-17-20(19-13)12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H,18,21)
InChIKeyCJPPABGWGQCIJU-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 120887619
2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
CID 43345759
N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide
CID 115880818
2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119448479
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide
CID 114630914
3-ethoxy-2,2-dimethyl-1-[(2-phenyltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120700438
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide
CID 18165130
N-pentan-2-yl-2-phenyltriazole-4-carboxamide
CID 18189508
N-(3-aminobutyl)-2-phenyltriazole-4-carboxamide
CID 63253686
N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103121107
3-methyl-1-(2-phenyltriazol-4-yl)butan-1-one
CID 105077581
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyltriazole-4-carboxamide;hydrochloride
CID 120642088

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide (CID 114696468) is N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide is CC1(NC(=O)c2cnn(-c3ccccc3)n2)CCNCC1.
What is the InChIKey of N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide?
The InChIKey is CJPPABGWGQCIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-15(7-9-16-10-8-15)18-14(21)13-11-17-20(19-13)12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3,(H,18,21).
What are the key properties of N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide?
N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 114696468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).