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

C22H27N5O2 — CID 45166954

IUPACN-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
SMILESCN(CCO)C(=O)c1cn(C2CCCN(Cc3ccc4ccccc4c3)C2)nn1
InChIInChI=1S/C22H27N5O2/c1-25(11-12-28)22(29)21-16-27(24-23-21)20-7-4-10-26(15-20)14-17-8-9-18-5-2-3-6-19(18)13-17/h2-3,5-6,8-9,13,16,20,28H,4,7,10-12,14-15H2,1H3
InChIKeyXBHQRBDOZFVDRF-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.33
Rot. Bonds6

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

N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide (PubChem CID 45166954) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
PubChem CID45166954
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
SMILESCN(CCO)C(=O)c1cn(C2CCCN(Cc3ccc4ccccc4c3)C2)nn1
InChIInChI=1S/C22H27N5O2/c1-25(11-12-28)22(29)21-16-27(24-23-21)20-7-4-10-26(15-20)14-17-8-9-18-5-2-3-6-19(18)13-17/h2-3,5-6,8-9,13,16,20,28H,4,7,10-12,14-15H2,1H3
InChIKeyXBHQRBDOZFVDRF-UHFFFAOYSA-N
XLogP2.33
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]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-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
CID 45227883
1-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
CID 42471628
N-(2-hydroxyethyl)-N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45167198
1-[(3R)-1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
CID 42397607
N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
CID 42376577
N-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42328322
N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230197
N-(3-hydroxypropyl)-1-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343328
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343330
1-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 26354413
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 28811962
methyl 4-[[3-[4-(diethylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 45244526

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide (CID 45166954) is N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide is CN(CCO)C(=O)c1cn(C2CCCN(Cc3ccc4ccccc4c3)C2)nn1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is XBHQRBDOZFVDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-25(11-12-28)22(29)21-16-27(24-23-21)20-7-4-10-26(15-20)14-17-8-9-18-5-2-3-6-19(18)13-17/h2-3,5-6,8-9,13,16,20,28H,4,7,10-12,14-15H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 45166954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).