1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone

C19H19BrN2O2 — CID 110364856

IUPAC1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C19H19BrN2O2/c20-17-8-4-7-16(14-17)19(24)22-11-9-21(10-12-22)18(23)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyOLTFQOIOOOVUQF-UHFFFAOYSA-N
MW387.28 g/mol
LogP2.98
Rot. Bonds3

About 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone

1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 110364856) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone
PubChem CID110364856
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C19H19BrN2O2/c20-17-8-4-7-16(14-17)19(24)22-11-9-21(10-12-22)18(23)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyOLTFQOIOOOVUQF-UHFFFAOYSA-N
XLogP2.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55656852
1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 108534759
2-(3-bromophenyl)-1-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 60619856
(4-benzyl-1,4-diazepan-1-yl)-(3-bromophenyl)methanone
CID 23765712
1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-chloropropan-1-one
CID 108568007
1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 108534758
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776283
1-(4-benzylpiperazin-1-yl)-2-(3-bromophenyl)ethanone
CID 100698276
[3-[4-(2-phenylacetyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543500
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
2-[4-(3-bromobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440312

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone (CID 110364856) is 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is OLTFQOIOOOVUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c20-17-8-4-7-16(14-17)19(24)22-11-9-21(10-12-22)18(23)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2.
What are the key properties of 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 387.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110364856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).