4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one

C15H20BrN3O2 — CID 119309548

IUPAC4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrN3O2/c16-13-5-3-12(4-6-13)15(21)19-10-8-18(9-11-19)14(20)2-1-7-17/h3-6H,1-2,7-11,17H2
InChIKeyPQQCEIQQMCXGLB-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.47
Rot. Bonds4

About 4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one

4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one (PubChem CID 119309548) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one
PubChem CID119309548
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrN3O2/c16-13-5-3-12(4-6-13)15(21)19-10-8-18(9-11-19)14(20)2-1-7-17/h3-6H,1-2,7-11,17H2
InChIKeyPQQCEIQQMCXGLB-UHFFFAOYSA-N
XLogP1.47
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119309527
4-amino-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]butan-1-one;hydrochloride
CID 119265503
3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 2756480
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474
4-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butan-1-one
CID 119300386
1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
CID 61252118
2-[4-(4-bromobenzoyl)piperazin-1-yl]acetic acid
CID 43521570
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone
CID 119309536
5-bromo-2-[4-[4-(4-methylbenzoyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 39571359
4-(4-aminobutanoyl)piperazine-1-carboxylic acid
CID 122623364
4-bromo-N-[3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 46413426
(4-bromophenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone
CID 63395617

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one (CID 119309548) is 4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one is NCCCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one?
The InChIKey is PQQCEIQQMCXGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c16-13-5-3-12(4-6-13)15(21)19-10-8-18(9-11-19)14(20)2-1-7-17/h3-6H,1-2,7-11,17H2.
What are the key properties of 4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one?
4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one has a molecular weight of 354.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119309548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).