1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide

C20H28ClN5O2 — CID 42190395

IUPAC1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide
SMILESCOCCN1CCC(CN(C)C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1
InChIInChI=1S/C20H28ClN5O2/c1-24(13-16-7-9-25(10-8-16)11-12-28-2)20(27)19-15-26(23-22-19)14-17-5-3-4-6-18(17)21/h3-6,15-16H,7-14H2,1-2H3
InChIKeyQUYKSOYIVXRZEV-UHFFFAOYSA-N
MW405.93 g/mol
LogP2.41
Rot. Bonds8

About 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide (PubChem CID 42190395) has the molecular formula C20H28ClN5O2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide
PubChem CID42190395
Molecular FormulaC20H28ClN5O2
Molecular Weight405.93 g/mol
Exact Mass405.19
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide
SMILESCOCCN1CCC(CN(C)C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1
InChIInChI=1S/C20H28ClN5O2/c1-24(13-16-7-9-25(10-8-16)11-12-28-2)20(27)19-15-26(23-22-19)14-17-5-3-4-6-18(17)21/h3-6,15-16H,7-14H2,1-2H3
InChIKeyQUYKSOYIVXRZEV-UHFFFAOYSA-N
XLogP2.41
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-Phenyl-ethyl)-1H-[1,2,3]triazole-4-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 648177
Tert-butyl 4-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperazine-1-carboxylate
CID 155525761
N-((1-benzylpiperidin-4-yl)methyl)-1-(2-chlorobenzyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 42288352
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
CID 42357811
1-(2-Chloro-6-fluoro-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid (3-methoxy-propyl)-amide
CID 644426
1-(2-Chloro-6-fluoro-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid (2-methoxy-ethyl)-amide
CID 3230989
N-{1-[1-(2-chlorophenyl)ethyl]azetidin-3-yl}-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide
CID 132220089
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 645404
1-(4-chlorobenzyl)-4-(2-isoxazolidinylcarbonyl)-1H-1,2,3-triazole
CID 25379234
1-(2-chlorobenzyl)-N-[(1-isobutyl-4-piperidinyl)methyl]-N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 25395891
1-{[1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-(methoxymethyl)piperidine
CID 25451644
1-(4-chlorobenzyl)-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 26326600

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide (CID 42190395) is 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide is COCCN1CCC(CN(C)C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide?
The InChIKey is QUYKSOYIVXRZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O2/c1-24(13-16-7-9-25(10-8-16)11-12-28-2)20(27)19-15-26(23-22-19)14-17-5-3-4-6-18(17)21/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide has a molecular weight of 405.93 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 42190395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).