2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide

C21H24BrN3O4 — CID 31151577

IUPAC2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc(OC)c1Br
InChIInChI=1S/C21H24BrN3O4/c1-28-17-12-15(13-18(29-2)20(17)22)21(27)25-10-8-24(9-11-25)14-19(26)23-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyUJMKDOVPKWTUDX-UHFFFAOYSA-N
MW462.34 g/mol
LogP2.86
Rot. Bonds6

About 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide

2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 31151577) has the molecular formula C21H24BrN3O4 and a molecular weight of 462.34 g/mol. Its IUPAC name is 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID31151577
Molecular FormulaC21H24BrN3O4
Molecular Weight462.34 g/mol
Exact Mass461.10
IUPAC Name2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide
SMILESCOc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc(OC)c1Br
InChIInChI=1S/C21H24BrN3O4/c1-28-17-12-15(13-18(29-2)20(17)22)21(27)25-10-8-24(9-11-25)14-19(26)23-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)
InChIKeyUJMKDOVPKWTUDX-UHFFFAOYSA-N
XLogP2.86
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide
CID 46493465
2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 24642596
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
N-(2-chlorophenyl)-2-[4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 31333305
(4-bromo-3,5-dimethoxyphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 27841153
2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide
CID 9223268
[4-[[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetyl]amino]phenyl] methyl carbonate
CID 150918073
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151705
2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60512130
N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 24547474
2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 35146831

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide (CID 31151577) is 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide is COc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc(OC)c1Br.
What is the InChIKey of 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is UJMKDOVPKWTUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O4/c1-28-17-12-15(13-18(29-2)20(17)22)21(27)25-10-8-24(9-11-25)14-19(26)23-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 462.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31151577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).