methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride

C16H20ClN5O3 — CID 119679642

IUPACmethyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1cccc(NC(=O)c2cn(C3CCNCC3)nn2)c1.Cl
InChIInChI=1S/C16H19N5O3.ClH/c1-24-16(23)11-3-2-4-12(9-11)18-15(22)14-10-21(20-19-14)13-5-7-17-8-6-13;/h2-4,9-10,13,17H,5-8H2,1H3,(H,18,22);1H
InChIKeyZNLSXJQGHNBNTI-UHFFFAOYSA-N
MW365.82 g/mol
LogP1.66
Rot. Bonds4

About methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride

methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride (PubChem CID 119679642) has the molecular formula C16H20ClN5O3 and a molecular weight of 365.82 g/mol. Its IUPAC name is methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
PubChem CID119679642
Molecular FormulaC16H20ClN5O3
Molecular Weight365.82 g/mol
Exact Mass365.13
IUPAC Namemethyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1cccc(NC(=O)c2cn(C3CCNCC3)nn2)c1.Cl
InChIInChI=1S/C16H19N5O3.ClH/c1-24-16(23)11-3-2-4-12(9-11)18-15(22)14-10-21(20-19-14)13-5-7-17-8-6-13;/h2-4,9-10,13,17H,5-8H2,1H3,(H,18,22);1H
InChIKeyZNLSXJQGHNBNTI-UHFFFAOYSA-N
XLogP1.66
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride with MolForge

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Related Compounds

N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119685390
N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234
N-[3-(dimethylsulfamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672920
N-[3-(2-methylpropoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419672
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119671254
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 119708561
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119770027
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
N-[3-(1,3-oxazol-5-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119399827

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride?
The IUPAC name of methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride (CID 119679642) is methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride.
What is the SMILES notation for methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride?
The canonical SMILES for methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride is COC(=O)c1cccc(NC(=O)c2cn(C3CCNCC3)nn2)c1.Cl.
What is the InChIKey of methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride?
The InChIKey is ZNLSXJQGHNBNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3.ClH/c1-24-16(23)11-3-2-4-12(9-11)18-15(22)14-10-21(20-19-14)13-5-7-17-8-6-13;/h2-4,9-10,13,17H,5-8H2,1H3,(H,18,22);1H.
What are the key properties of methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride?
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride has a molecular weight of 365.82 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride is sourced from PubChem (CID 119679642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).