N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride

C14H19BrClN3O2 — CID 119308213

IUPACN-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(Br)cc1NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C14H18BrN3O2.ClH/c1-9(19)17-12-3-2-11(15)8-13(12)18-14(20)10-4-6-16-7-5-10;/h2-3,8,10,16H,4-7H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyGNXGAEDKARXRID-UHFFFAOYSA-N
MW376.68 g/mol
LogP2.77
Rot. Bonds3

About N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride

N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119308213) has the molecular formula C14H19BrClN3O2 and a molecular weight of 376.68 g/mol. Its IUPAC name is N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119308213
Molecular FormulaC14H19BrClN3O2
Molecular Weight376.68 g/mol
Exact Mass375.03
IUPAC NameN-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(Br)cc1NC(=O)C1CCNCC1.Cl
InChIInChI=1S/C14H18BrN3O2.ClH/c1-9(19)17-12-3-2-11(15)8-13(12)18-14(20)10-4-6-16-7-5-10;/h2-3,8,10,16H,4-7H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyGNXGAEDKARXRID-UHFFFAOYSA-N
XLogP2.77
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.68
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119300666
N-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide
CID 43711563
N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119673458
N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119262646
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
N-(4-bromo-2-cyclopropylphenyl)acetamide
CID 70079841
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119298753

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride (CID 119308213) is N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride is CC(=O)Nc1ccc(Br)cc1NC(=O)C1CCNCC1.Cl.
What is the InChIKey of N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is GNXGAEDKARXRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2.ClH/c1-9(19)17-12-3-2-11(15)8-13(12)18-14(20)10-4-6-16-7-5-10;/h2-3,8,10,16H,4-7H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride?
N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 376.68 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119308213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).