1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide

C18H25N5O — CID 26395239

IUPAC1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide
SMILESCc1ccccc1Cn1cc(C(=O)NCCN2CCCCC2)nn1
InChIInChI=1S/C18H25N5O/c1-15-7-3-4-8-16(15)13-23-14-17(20-21-23)18(24)19-9-12-22-10-5-2-6-11-22/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,19,24)
InChIKeyAMVLTYWSVHTLRJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.85
Rot. Bonds6

About 1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide

1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide (PubChem CID 26395239) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide
PubChem CID26395239
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide
SMILESCc1ccccc1Cn1cc(C(=O)NCCN2CCCCC2)nn1
InChIInChI=1S/C18H25N5O/c1-15-7-3-4-8-16(15)13-23-14-17(20-21-23)18(24)19-9-12-22-10-5-2-6-11-22/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,19,24)
InChIKeyAMVLTYWSVHTLRJ-UHFFFAOYSA-N
XLogP1.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-methylphenyl)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 25282296
1-[(2-methylphenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
CID 42533380
2-[4-[2-(2-methylphenyl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 79756022
1-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxamide
CID 6488121
1-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26337994
N,1-bis[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 42594376
1-[1-(2-fluorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 3231011
2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791446
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 123586173
1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide
CID 42213988
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42363556

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide (CID 26395239) is 1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide is Cc1ccccc1Cn1cc(C(=O)NCCN2CCCCC2)nn1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The InChIKey is AMVLTYWSVHTLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-15-7-3-4-8-16(15)13-23-14-17(20-21-23)18(24)19-9-12-22-10-5-2-6-11-22/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,19,24).
What are the key properties of 1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 26395239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).