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

C17H22ClN5O3 — CID 119672434

IUPACethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C17H21N5O3.ClH/c1-2-25-17(24)12-3-5-13(6-4-12)19-16(23)15-11-22(21-20-15)14-7-9-18-10-8-14;/h3-6,11,14,18H,2,7-10H2,1H3,(H,19,23);1H
InChIKeyBXUUOJOTPOZYSI-UHFFFAOYSA-N
MW379.85 g/mol
LogP2.05
Rot. Bonds5

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

ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride (PubChem CID 119672434) has the molecular formula C17H22ClN5O3 and a molecular weight of 379.85 g/mol. Its IUPAC name is ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
PubChem CID119672434
Molecular FormulaC17H22ClN5O3
Molecular Weight379.85 g/mol
Exact Mass379.14
IUPAC Nameethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C17H21N5O3.ClH/c1-2-25-17(24)12-3-5-13(6-4-12)19-16(23)15-11-22(21-20-15)14-7-9-18-10-8-14;/h3-6,11,14,18H,2,7-10H2,1H3,(H,19,23);1H
InChIKeyBXUUOJOTPOZYSI-UHFFFAOYSA-N
XLogP2.05
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[(1-piperidin-4-yltriazole-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746496
1-piperidin-4-yl-N-[4-(propylsulfonylamino)phenyl]triazole-4-carboxamide;hydrochloride
CID 119754212
N-(4-ethoxy-3-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688375
N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119703611
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119828958
1-piperidin-4-yl-N-[4-(pyridin-3-ylcarbamoyl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119844776
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride
CID 119698611
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride?
The IUPAC name of ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride (CID 119672434) is ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride.
What is the SMILES notation for ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride?
The canonical SMILES for ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride is CCOC(=O)c1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl.
What is the InChIKey of ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride?
The InChIKey is BXUUOJOTPOZYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3.ClH/c1-2-25-17(24)12-3-5-13(6-4-12)19-16(23)15-11-22(21-20-15)14-7-9-18-10-8-14;/h3-6,11,14,18H,2,7-10H2,1H3,(H,19,23);1H.
What are the key properties of ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride?
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride has a molecular weight of 379.85 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride is sourced from PubChem (CID 119672434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).