1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride

C18H26ClN5O4 — CID 119690612

IUPAC1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C18H25N5O4.ClH/c1-25-15-9-17(27-3)16(26-2)8-12(15)10-20-18(24)14-11-23(22-21-14)13-4-6-19-7-5-13;/h8-9,11,13,19H,4-7,10H2,1-3H3,(H,20,24);1H
InChIKeyQCRPAKGFQMUULL-UHFFFAOYSA-N
MW411.89 g/mol
LogP1.58
Rot. Bonds7

About 1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride

1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119690612) has the molecular formula C18H26ClN5O4 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
PubChem CID119690612
Molecular FormulaC18H26ClN5O4
Molecular Weight411.89 g/mol
Exact Mass411.17
IUPAC Name1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C18H25N5O4.ClH/c1-25-15-9-17(27-3)16(26-2)8-12(15)10-20-18(24)14-11-23(22-21-14)13-4-6-19-7-5-13;/h8-9,11,13,19H,4-7,10H2,1-3H3,(H,20,24);1H
InChIKeyQCRPAKGFQMUULL-UHFFFAOYSA-N
XLogP1.58
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119705244
1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119733849
N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709617
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767125
N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709353
N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811417
N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811777
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide
CID 119734208
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813950
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119708022
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride (CID 119690612) is 1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride is COc1cc(OC)c(OC)cc1CNC(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of 1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is QCRPAKGFQMUULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4.ClH/c1-25-15-9-17(27-3)16(26-2)8-12(15)10-20-18(24)14-11-23(22-21-14)13-4-6-19-7-5-13;/h8-9,11,13,19H,4-7,10H2,1-3H3,(H,20,24);1H.
What are the key properties of 1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 411.89 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119690612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).