N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide

C20H25N7O — CID 131925378

IUPACN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
SMILESCc1nccn1Cc1ccccc1NC(=O)c1cn(CC2CCCNC2)nn1
InChIInChI=1S/C20H25N7O/c1-15-22-9-10-26(15)13-17-6-2-3-7-18(17)23-20(28)19-14-27(25-24-19)12-16-5-4-8-21-11-16/h2-3,6-7,9-10,14,16,21H,4-5,8,11-13H2,1H3,(H,23,28)
InChIKeyXCQWYSXVTPDMIR-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.08
Rot. Bonds6

About N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide

N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide (PubChem CID 131925378) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
PubChem CID131925378
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC NameN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
SMILESCc1nccn1Cc1ccccc1NC(=O)c1cn(CC2CCCNC2)nn1
InChIInChI=1S/C20H25N7O/c1-15-22-9-10-26(15)13-17-6-2-3-7-18(17)23-20(28)19-14-27(25-24-19)12-16-5-4-8-21-11-16/h2-3,6-7,9-10,14,16,21H,4-5,8,11-13H2,1H3,(H,23,28)
InChIKeyXCQWYSXVTPDMIR-UHFFFAOYSA-N
XLogP2.08
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)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

(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide
CID 131930636
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide
CID 95896960
1-[[(3S)-piperidin-3-yl]methyl]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]triazole-4-carboxamide
CID 95222094
N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95211615
N-(3-phenylsulfanylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 99959733
1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide
CID 50973548
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 56718968
(3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone
CID 56722676
N-[(5-ethyl-2-pyridinyl)methyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95146832
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide
CID 131899424
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone
CID 95188449
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]methanone
CID 95188450

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide (CID 131925378) is N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide is Cc1nccn1Cc1ccccc1NC(=O)c1cn(CC2CCCNC2)nn1.
What is the InChIKey of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is XCQWYSXVTPDMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-15-22-9-10-26(15)13-17-6-2-3-7-18(17)23-20(28)19-14-27(25-24-19)12-16-5-4-8-21-11-16/h2-3,6-7,9-10,14,16,21H,4-5,8,11-13H2,1H3,(H,23,28).
What are the key properties of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide?
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 379.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 131925378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).