methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride

C18H24ClN5O5 — CID 119677753

IUPACmethyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C18H23N5O5.ClH/c1-26-15-8-12(18(25)28-3)13(9-16(15)27-2)20-17(24)14-10-23(22-21-14)11-4-6-19-7-5-11;/h8-11,19H,4-7H2,1-3H3,(H,20,24);1H
InChIKeyPPTQJESVOQHZNI-UHFFFAOYSA-N
MW425.87 g/mol
LogP1.68
Rot. Bonds6

About methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride

methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride (PubChem CID 119677753) has the molecular formula C18H24ClN5O5 and a molecular weight of 425.87 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
PubChem CID119677753
Molecular FormulaC18H24ClN5O5
Molecular Weight425.87 g/mol
Exact Mass425.15
IUPAC Namemethyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C18H23N5O5.ClH/c1-26-15-8-12(18(25)28-3)13(9-16(15)27-2)20-17(24)14-10-23(22-21-14)11-4-6-19-7-5-11;/h8-11,19H,4-7H2,1-3H3,(H,20,24);1H
InChIKeyPPTQJESVOQHZNI-UHFFFAOYSA-N
XLogP1.68
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride with MolForge

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Related Compounds

N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
N-(4-ethoxy-3-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688375
N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119770027
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119690612
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119697730
N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119812500
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride?
The IUPAC name of methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride (CID 119677753) is methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride?
The canonical SMILES for methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride?
The InChIKey is PPTQJESVOQHZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O5.ClH/c1-26-15-8-12(18(25)28-3)13(9-16(15)27-2)20-17(24)14-10-23(22-21-14)11-4-6-19-7-5-11;/h8-11,19H,4-7H2,1-3H3,(H,20,24);1H.
What are the key properties of methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride?
methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride has a molecular weight of 425.87 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride is sourced from PubChem (CID 119677753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).