4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide

C18H18BrN3O2 — CID 110637812

IUPAC4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C18H18BrN3O2/c19-15-6-4-5-14(13-15)17(23)21-9-11-22(12-10-21)18(24)20-16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,20,24)
InChIKeyHPROVFPAAHMJSN-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.44
Rot. Bonds2

About 4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide

4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 110637812) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide
PubChem CID110637812
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C18H18BrN3O2/c19-15-6-4-5-14(13-15)17(23)21-9-11-22(12-10-21)18(24)20-16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,20,24)
InChIKeyHPROVFPAAHMJSN-UHFFFAOYSA-N
XLogP3.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone
CID 110364856
4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 110400210
4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
CID 119765351
N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide
CID 55747739
4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide
CID 113079371
N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-3-bromobenzamide
CID 17317366
4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide
CID 110365652
(3-bromophenyl)-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 38462694
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide (CID 110637812) is 4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is HPROVFPAAHMJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c19-15-6-4-5-14(13-15)17(23)21-9-11-22(12-10-21)18(24)20-16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,20,24).
What are the key properties of 4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide?
4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 388.27 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromobenzoyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110637812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).