N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide

C22H28N6O — CID 42501111

IUPACN,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCN(Cc3cccc4ncccc34)CC2)nn1
InChIInChI=1S/C22H28N6O/c1-3-27(4-2)22(29)21-16-28(25-24-21)18-10-13-26(14-11-18)15-17-7-5-9-20-19(17)8-6-12-23-20/h5-9,12,16,18H,3-4,10-11,13-15H2,1-2H3
InChIKeyYYPSDJYXLYEVSS-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.15
Rot. Bonds6

About N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide

N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide (PubChem CID 42501111) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
PubChem CID42501111
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCN(Cc3cccc4ncccc34)CC2)nn1
InChIInChI=1S/C22H28N6O/c1-3-27(4-2)22(29)21-16-28(25-24-21)18-10-13-26(14-11-18)15-17-7-5-9-20-19(17)8-6-12-23-20/h5-9,12,16,18H,3-4,10-11,13-15H2,1-2H3
InChIKeyYYPSDJYXLYEVSS-UHFFFAOYSA-N
XLogP3.15
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-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

N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
CID 25328000
N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26399029
N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42432934
N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
CID 42376577
1-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide
CID 45199833
N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45213295
N,N-diethyl-1-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26341567
N,N-diethyl-1-[(3S)-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 42435625
1-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide
CID 25326216
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide
CID 26326855
N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26347462

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide (CID 42501111) is N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide is CCN(CC)C(=O)c1cn(C2CCN(Cc3cccc4ncccc34)CC2)nn1.
What is the InChIKey of N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is YYPSDJYXLYEVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-3-27(4-2)22(29)21-16-28(25-24-21)18-10-13-26(14-11-18)15-17-7-5-9-20-19(17)8-6-12-23-20/h5-9,12,16,18H,3-4,10-11,13-15H2,1-2H3.
What are the key properties of N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide?
N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 42501111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).