N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride

C14H20BrClN2O2 — CID 119300666

IUPACN-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCCOc1ccc(Br)cc1NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C14H19BrN2O2.ClH/c1-2-19-13-4-3-11(15)9-12(13)17-14(18)10-5-7-16-8-6-10;/h3-4,9-10,16H,2,5-8H2,1H3,(H,17,18);1H
InChIKeyGKUAIYQVTRIHRL-UHFFFAOYSA-N
MW363.68 g/mol
LogP3.21
Rot. Bonds4

About N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride

N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119300666) has the molecular formula C14H20BrClN2O2 and a molecular weight of 363.68 g/mol. Its IUPAC name is N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119300666
Molecular FormulaC14H20BrClN2O2
Molecular Weight363.68 g/mol
Exact Mass362.04
IUPAC NameN-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCCOc1ccc(Br)cc1NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C14H19BrN2O2.ClH/c1-2-19-13-4-3-11(15)9-12(13)17-14(18)10-5-7-16-8-6-10;/h3-4,9-10,16H,2,5-8H2,1H3,(H,17,18);1H
InChIKeyGKUAIYQVTRIHRL-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
N-(5-chloro-2-ethoxyphenyl)piperidine-4-carboxamide
CID 54862625
N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119308213
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide
CID 63005433
(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683535
3-amino-N-(4-bromo-2-ethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812502
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide
CID 119797775
N-[2-(cyclopropylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119332686

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride (CID 119300666) is N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride is CCOc1ccc(Br)cc1NC(=O)C1CCNCC1.Cl.
What is the InChIKey of N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is GKUAIYQVTRIHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2.ClH/c1-2-19-13-4-3-11(15)9-12(13)17-14(18)10-5-7-16-8-6-10;/h3-4,9-10,16H,2,5-8H2,1H3,(H,17,18);1H.
What are the key properties of N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride?
N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 363.68 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119300666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).