[4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone

C18H16Br2N2O2 — CID 569283

IUPAC[4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1
InChIInChI=1S/C18H16Br2N2O2/c19-15-10-14(11-16(20)12-15)18(24)22-8-6-21(7-9-22)17(23)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2
InChIKeyUKPAFNGVPPFFFZ-UHFFFAOYSA-N
MW452.15 g/mol
LogP3.81
Rot. Bonds2

About [4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone

[4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone (PubChem CID 569283) has the molecular formula C18H16Br2N2O2 and a molecular weight of 452.15 g/mol. Its IUPAC name is [4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone
PubChem CID569283
Molecular FormulaC18H16Br2N2O2
Molecular Weight452.15 g/mol
Exact Mass449.96
IUPAC Name[4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1
InChIInChI=1S/C18H16Br2N2O2/c19-15-10-14(11-16(20)12-15)18(24)22-8-6-21(7-9-22)17(23)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2
InChIKeyUKPAFNGVPPFFFZ-UHFFFAOYSA-N
XLogP3.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.15
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone (CID 569283) is [4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1.
What is the InChIKey of [4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is UKPAFNGVPPFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N2O2/c19-15-10-14(11-16(20)12-15)18(24)22-8-6-21(7-9-22)17(23)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2.
What are the key properties of [4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone?
[4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 452.15 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dibromobenzoyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 569283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).