5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide

C22H23N5O2 — CID 16676169

IUPAC5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)nnn1-c1ccccc1
InChIInChI=1S/C22H23N5O2/c1-16-20(24-25-27(16)19-11-4-2-5-12-19)21(28)23-18-10-8-9-17(15-18)22(29)26-13-6-3-7-14-26/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3,(H,23,28)
InChIKeyCGJXONOWKALIPJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.45
Rot. Bonds4

About 5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide

5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide (PubChem CID 16676169) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide
PubChem CID16676169
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)nnn1-c1ccccc1
InChIInChI=1S/C22H23N5O2/c1-16-20(24-25-27(16)19-11-4-2-5-12-19)21(28)23-18-10-8-9-17(15-18)22(29)26-13-6-3-7-14-26/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3,(H,23,28)
InChIKeyCGJXONOWKALIPJ-UHFFFAOYSA-N
XLogP3.45
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide (CID 16676169) is 5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)nnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide?
The InChIKey is CGJXONOWKALIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16-20(24-25-27(16)19-11-4-2-5-12-19)21(28)23-18-10-8-9-17(15-18)22(29)26-13-6-3-7-14-26/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3,(H,23,28).
What are the key properties of 5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide?
5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 16676169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).