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

C22H27N5O2 — CID 45166867

IUPACN-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
SMILESCN(CCO)C(=O)c1cn(C2CCCN(Cc3cccc4ccccc34)C2)nn1
InChIInChI=1S/C22H27N5O2/c1-25(12-13-28)22(29)21-16-27(24-23-21)19-9-5-11-26(15-19)14-18-8-4-7-17-6-2-3-10-20(17)18/h2-4,6-8,10,16,19,28H,5,9,11-15H2,1H3
InChIKeyOGHLKTNERQBSPS-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.33
Rot. Bonds6

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

N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazole-4-carboxamide (PubChem CID 45166867) 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-1-ylmethyl)piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
PubChem CID45166867
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
SMILESCN(CCO)C(=O)c1cn(C2CCCN(Cc3cccc4ccccc34)C2)nn1
InChIInChI=1S/C22H27N5O2/c1-25(12-13-28)22(29)21-16-27(24-23-21)19-9-5-11-26(15-19)14-18-8-4-7-17-6-2-3-10-20(17)18/h2-4,6-8,10,16,19,28H,5,9,11-15H2,1H3
InChIKeyOGHLKTNERQBSPS-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-1-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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazole-4-carboxamide (CID 45166867) is N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazole-4-carboxamide is CN(CCO)C(=O)c1cn(C2CCCN(Cc3cccc4ccccc34)C2)nn1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is OGHLKTNERQBSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-25(12-13-28)22(29)21-16-27(24-23-21)19-9-5-11-26(15-19)14-18-8-4-7-17-6-2-3-10-20(17)18/h2-4,6-8,10,16,19,28H,5,9,11-15H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-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-1-ylmethyl)piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 45166867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).