1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide

C17H23N5O — CID 42880898

IUPAC1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1cnc(C(=O)NCCN2CCCCC2)n1
InChIInChI=1S/C17H23N5O/c1-14-7-3-4-8-15(14)22-13-19-16(20-22)17(23)18-9-12-21-10-5-2-6-11-21/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,18,23)
InChIKeyOFBCXGLWABOBIT-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.79
Rot. Bonds5

About 1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide

1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42880898) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide
PubChem CID42880898
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1cnc(C(=O)NCCN2CCCCC2)n1
InChIInChI=1S/C17H23N5O/c1-14-7-3-4-8-15(14)22-13-19-16(20-22)17(23)18-9-12-21-10-5-2-6-11-21/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,18,23)
InChIKeyOFBCXGLWABOBIT-UHFFFAOYSA-N
XLogP1.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859076
N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692504
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92987492
5-methyl-1-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazole-3-carboxamide
CID 42692587
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 26395239
N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20886611
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4046396

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide (CID 42880898) is 1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide is Cc1ccccc1-n1cnc(C(=O)NCCN2CCCCC2)n1.
What is the InChIKey of 1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is OFBCXGLWABOBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-14-7-3-4-8-15(14)22-13-19-16(20-22)17(23)18-9-12-21-10-5-2-6-11-21/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,18,23).
What are the key properties of 1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide?
1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42880898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).