1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride

C18H26ClN5O4 — CID 119733849

IUPAC1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
SMILESCOc1cc(OC)c(CNC(=O)c2cn(C3CCNCC3)nn2)c(OC)c1.Cl
InChIInChI=1S/C18H25N5O4.ClH/c1-25-13-8-16(26-2)14(17(9-13)27-3)10-20-18(24)15-11-23(22-21-15)12-4-6-19-7-5-12;/h8-9,11-12,19H,4-7,10H2,1-3H3,(H,20,24);1H
InChIKeyHROIZODEZGTXFE-UHFFFAOYSA-N
MW411.89 g/mol
LogP1.58
Rot. Bonds7

About 1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride

1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119733849) has the molecular formula C18H26ClN5O4 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
PubChem CID119733849
Molecular FormulaC18H26ClN5O4
Molecular Weight411.89 g/mol
Exact Mass411.17
IUPAC Name1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
SMILESCOc1cc(OC)c(CNC(=O)c2cn(C3CCNCC3)nn2)c(OC)c1.Cl
InChIInChI=1S/C18H25N5O4.ClH/c1-25-13-8-16(26-2)14(17(9-13)27-3)10-20-18(24)15-11-23(22-21-15)12-4-6-19-7-5-12;/h8-9,11-12,19H,4-7,10H2,1-3H3,(H,20,24);1H
InChIKeyHROIZODEZGTXFE-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-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119690612
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822603
N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709353
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767125
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815741
N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709617
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[(3-ethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714461

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride (CID 119733849) is 1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride is COc1cc(OC)c(CNC(=O)c2cn(C3CCNCC3)nn2)c(OC)c1.Cl.
What is the InChIKey of 1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is HROIZODEZGTXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4.ClH/c1-25-13-8-16(26-2)14(17(9-13)27-3)10-20-18(24)15-11-23(22-21-15)12-4-6-19-7-5-12;/h8-9,11-12,19H,4-7,10H2,1-3H3,(H,20,24);1H.
What are the key properties of 1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
1-piperidin-4-yl-N-[(2,4,6-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-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119733849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).