N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C16H21BrClN5O2 — CID 119812500

IUPACN-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCOc1cc(Br)ccc1NC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C16H20BrN5O2.ClH/c1-2-24-15-9-11(17)3-4-13(15)19-16(23)14-10-22(21-20-14)12-5-7-18-8-6-12;/h3-4,9-10,12,18H,2,5-8H2,1H3,(H,19,23);1H
InChIKeyLCBUEAQARIHWAT-UHFFFAOYSA-N
MW430.73 g/mol
LogP3.04
Rot. Bonds5

About N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119812500) has the molecular formula C16H21BrClN5O2 and a molecular weight of 430.73 g/mol. Its IUPAC name is N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119812500
Molecular FormulaC16H21BrClN5O2
Molecular Weight430.73 g/mol
Exact Mass429.06
IUPAC NameN-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCOc1cc(Br)ccc1NC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C16H20BrN5O2.ClH/c1-2-24-15-9-11(17)3-4-13(15)19-16(23)14-10-22(21-20-14)12-5-7-18-8-6-12;/h3-4,9-10,12,18H,2,5-8H2,1H3,(H,19,23);1H
InChIKeyLCBUEAQARIHWAT-UHFFFAOYSA-N
XLogP3.04
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.73
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673430
N-(4-ethoxy-3-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688375
N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119726785
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119743239
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
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119677753
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119812500) is N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCOc1cc(Br)ccc1NC(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is LCBUEAQARIHWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O2.ClH/c1-2-24-15-9-11(17)3-4-13(15)19-16(23)14-10-22(21-20-14)12-5-7-18-8-6-12;/h3-4,9-10,12,18H,2,5-8H2,1H3,(H,19,23);1H.
What are the key properties of N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 430.73 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119812500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).