N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C15H19N5O — CID 75397898

IUPACN-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCC2c2ncn[nH]2)cc1
InChIInChI=1S/C15H19N5O/c1-11-5-7-12(8-6-11)18-15(21)20-9-3-2-4-13(20)14-16-10-17-19-14/h5-8,10,13H,2-4,9H2,1H3,(H,18,21)(H,16,17,19)
InChIKeyZLQDDOJLTOBSOS-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.87
Rot. Bonds2

About N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 75397898) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID75397898
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCC2c2ncn[nH]2)cc1
InChIInChI=1S/C15H19N5O/c1-11-5-7-12(8-6-11)18-15(21)20-9-3-2-4-13(20)14-16-10-17-19-14/h5-8,10,13H,2-4,9H2,1H3,(H,18,21)(H,16,17,19)
InChIKeyZLQDDOJLTOBSOS-UHFFFAOYSA-N
XLogP2.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-tert-butylpyrimidin-5-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75518851
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991556
(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97346259
(2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97347741
1-[4-[2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 84594447
N-[2-(5-methylthiophen-3-yl)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 154736967
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874
2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
N-(4-ethoxyphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096328
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
(3-tert-butylcyclobutyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128664958
N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 138033852

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 75397898) is N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCCC2c2ncn[nH]2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ZLQDDOJLTOBSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-5-7-12(8-6-11)18-15(21)20-9-3-2-4-13(20)14-16-10-17-19-14/h5-8,10,13H,2-4,9H2,1H3,(H,18,21)(H,16,17,19).
What are the key properties of N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75397898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).