N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide

C20H26N6O — CID 95123127

IUPACN-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESCN(CCn1ccc2ccccc21)C(=O)c1cn(C[C@H]2CCCNC2)nn1
InChIInChI=1S/C20H26N6O/c1-24(11-12-25-10-8-17-6-2-3-7-19(17)25)20(27)18-15-26(23-22-18)14-16-5-4-9-21-13-16/h2-3,6-8,10,15-16,21H,4-5,9,11-14H2,1H3/t16-/m0/s1
InChIKeyOEFQQMUPPOPYOB-INIZCTEOSA-N
MW366.47 g/mol
LogP2.00
Rot. Bonds6

About N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide

N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide (PubChem CID 95123127) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
PubChem CID95123127
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESCN(CCn1ccc2ccccc21)C(=O)c1cn(C[C@H]2CCCNC2)nn1
InChIInChI=1S/C20H26N6O/c1-24(11-12-25-10-8-17-6-2-3-7-19(17)25)20(27)18-15-26(23-22-18)14-16-5-4-9-21-13-16/h2-3,6-8,10,15-16,21H,4-5,9,11-14H2,1H3/t16-/m0/s1
InChIKeyOEFQQMUPPOPYOB-INIZCTEOSA-N
XLogP2.00
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]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

N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 50980745
N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95211615
N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)triazole-4-carboxamide
CID 95119666
N-methyl-1-[[(3S)-piperidin-3-yl]methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)triazole-4-carboxamide
CID 95119667
N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 95122940
N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95205588
N-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95189176
(3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone
CID 56722676
N-(3-phenylsulfanylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 99959733
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 131925378
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 135990311
(3R)-N-(3-indol-1-ylpropyl)piperidine-3-carboxamide
CID 81133523

Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide (CID 95123127) is N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide is CN(CCn1ccc2ccccc21)C(=O)c1cn(C[C@H]2CCCNC2)nn1.
What is the InChIKey of N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide?
The InChIKey is OEFQQMUPPOPYOB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N6O/c1-24(11-12-25-10-8-17-6-2-3-7-19(17)25)20(27)18-15-26(23-22-18)14-16-5-4-9-21-13-16/h2-3,6-8,10,15-16,21H,4-5,9,11-14H2,1H3/t16-/m0/s1.
What are the key properties of N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide?
N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 95123127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).