3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one

C10H16Br2N2O2 — CID 4842

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IUPAC3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCBr)N1CCN(C(=O)CCBr)CC1
InChIInChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2
InChIKeyNJBFOOCLYDNZJN-UHFFFAOYSA-N
MW356.06 g/mol
LogP1.23
Rot. Bonds4

About 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one

3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one (PubChem CID 4842) has the molecular formula C10H16Br2N2O2 and a molecular weight of 356.06 g/mol. Its IUPAC name is 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one
PubChem CID4842
Molecular FormulaC10H16Br2N2O2
Molecular Weight356.06 g/mol
Exact Mass353.96
IUPAC Name3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCBr)N1CCN(C(=O)CCBr)CC1
InChIInChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2
InChIKeyNJBFOOCLYDNZJN-UHFFFAOYSA-N
XLogP1.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.06
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-Acetyl-4-(2-bromoethyl)piperazine hydrobromide
CID 17381708
3-Bromo-1-(4-methylpiperazin-1-yl)propan-1-one hydrobromide
CID 86775434
N,N'-Bis(2-bromopropionyl)piperazine
CID 237581
1,1'-Piperazine-1,4-diylbis(3-bromo-2,2-dimethylpropan-1-one)
CID 245666
1,1'-(1,4-Diazepane-1,4-diyl)bis(3-bromopropan-1-one)
CID 241649
3-bromo-N-[2-[3-bromopropanoyl(methyl)amino]ethyl]-N-methylpropanamide
CID 142768224
1,1'-Piperazine-1,4-diylbis(2-bromo-2-methylpropan-1-one)
CID 237542
3-Bromo-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 104190262
1,1'-(1,2-Ethanediyl)bis(4-(3-bromo-1-oxopropyl)piperazine) dihydrochloride
CID 156599350
3-Bromo-1-[4-(3-bromo-2-methylpropanoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 245668
3-bromo-1-[(2S,5R)-4-(3-bromopropanoyl)-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 247150
2-Bromo-1-[4-(2-bromoacetyl)piperazin-1-yl]ethanone
CID 237580

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one (CID 4842) is 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one is O=C(CCBr)N1CCN(C(=O)CCBr)CC1.
What is the InChIKey of 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one?
The InChIKey is NJBFOOCLYDNZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2.
What are the key properties of 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one?
3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one has a molecular weight of 356.06 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 4842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).