N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide

C19H28N6O — CID 42432934

IUPACN,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCN(Cc3cccc(C)n3)CC2)nn1
InChIInChI=1S/C19H28N6O/c1-4-24(5-2)19(26)18-14-25(22-21-18)17-9-11-23(12-10-17)13-16-8-6-7-15(3)20-16/h6-8,14,17H,4-5,9-13H2,1-3H3
InChIKeyTXDODTGFHXDATH-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.30
Rot. Bonds6

About N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide

N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide (PubChem CID 42432934) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
PubChem CID42432934
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCN(Cc3cccc(C)n3)CC2)nn1
InChIInChI=1S/C19H28N6O/c1-4-24(5-2)19(26)18-14-25(22-21-18)17-9-11-23(12-10-17)13-16-8-6-7-15(3)20-16/h6-8,14,17H,4-5,9-13H2,1-3H3
InChIKeyTXDODTGFHXDATH-UHFFFAOYSA-N
XLogP2.30
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26399029
N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 118756520
N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
CID 42501111
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
N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45213295
1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide
CID 26326855
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119803832
1-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide
CID 45199833
N,N-diethyl-1-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26341567
N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26355311
N-(2-hydroxyethyl)-N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
CID 42376577

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide (CID 42432934) is N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide is CCN(CC)C(=O)c1cn(C2CCN(Cc3cccc(C)n3)CC2)nn1.
What is the InChIKey of N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is TXDODTGFHXDATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-4-24(5-2)19(26)18-14-25(22-21-18)17-9-11-23(12-10-17)13-16-8-6-7-15(3)20-16/h6-8,14,17H,4-5,9-13H2,1-3H3.
What are the key properties of N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.30, 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-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 42432934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).