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

C19H26ClN5O2 — CID 26326600

IUPAC1-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]triazole-4-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C19H26ClN5O2/c1-27-11-10-24-8-6-15(7-9-24)12-21-19(26)18-14-25(23-22-18)13-16-2-4-17(20)5-3-16/h2-5,14-15H,6-13H2,1H3,(H,21,26)
InChIKeyNLIGGKKHBHXBPQ-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.07
Rot. Bonds8

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

1-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]triazole-4-carboxamide (PubChem CID 26326600) has the molecular formula C19H26ClN5O2 and a molecular weight of 391.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]triazole-4-carboxamide
PubChem CID26326600
Molecular FormulaC19H26ClN5O2
Molecular Weight391.90 g/mol
Exact Mass391.18
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]triazole-4-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C19H26ClN5O2/c1-27-11-10-24-8-6-15(7-9-24)12-21-19(26)18-14-25(23-22-18)13-16-2-4-17(20)5-3-16/h2-5,14-15H,6-13H2,1H3,(H,21,26)
InChIKeyNLIGGKKHBHXBPQ-UHFFFAOYSA-N
XLogP2.07
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-1-[(1-benzyltriazole-4-carbonyl)amino]-2-(4-chlorophenyl)ethyl]boronic acid
CID 155540444
[(1R)-2-(4-chlorophenyl)-1-[(1-phenyltriazole-4-carbonyl)amino]ethyl]boronic acid
CID 155552083
1-(1-Phenyl-ethyl)-1H-[1,2,3]triazole-4-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 648177
1-(2-Fluoro-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid [2-(4-ethyl-piperazin-1-yl)-ethyl]-amide
CID 649632
N-((1-benzylpiperidin-4-yl)methyl)-1-(2-chlorobenzyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 42288352
N-{1-[1-(2-chloro-4-fluorophenyl)ethyl]azetidin-3-yl}-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide
CID 132219974
1-[1-(2-Fluoro-phenyl)-ethyl]-1H-[1,2,3]triazole-4-carboxylic acid (2-methoxy-ethyl)-amide
CID 3230990
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-hydroxyethyl)-N-methyltriazole-4-carboxamide
CID 42357811
1-[1-(4-fluorophenyl)propyl]-N-[3-(4-methylpiperidin-1-yl)propyl]triazole-4-carboxamide
CID 45489166
1-(2-Chloro-6-fluoro-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid (3-methoxy-propyl)-amide
CID 644426
1-[1-(4-methylphenyl)ethyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxamide
CID 648494
1-[1-(2-Fluoro-phenyl)-ethyl]-1H-[1,2,3]triazole-4-carboxylic acid [2-(4-ethyl-piperazin-1-yl)-ethyl]-amide
CID 651445

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]triazole-4-carboxamide (CID 26326600) is 1-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]triazole-4-carboxamide is COCCN1CCC(CNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]triazole-4-carboxamide?
The InChIKey is NLIGGKKHBHXBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O2/c1-27-11-10-24-8-6-15(7-9-24)12-21-19(26)18-14-25(23-22-18)13-16-2-4-17(20)5-3-16/h2-5,14-15H,6-13H2,1H3,(H,21,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]triazole-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]triazole-4-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 26326600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).