3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride

C14H19BrClN3O2 — CID 119309527

IUPAC3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H18BrN3O2.ClH/c15-12-3-1-11(2-4-12)14(20)18-9-7-17(8-10-18)13(19)5-6-16;/h1-4H,5-10,16H2;1H
InChIKeyIKKBFMAJXMHPKC-UHFFFAOYSA-N
MW376.68 g/mol
LogP1.50
Rot. Bonds3

About 3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride

3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 119309527) has the molecular formula C14H19BrClN3O2 and a molecular weight of 376.68 g/mol. Its IUPAC name is 3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
PubChem CID119309527
Molecular FormulaC14H19BrClN3O2
Molecular Weight376.68 g/mol
Exact Mass375.03
IUPAC Name3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCl.NCCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H18BrN3O2.ClH/c15-12-3-1-11(2-4-12)14(20)18-9-7-17(8-10-18)13(19)5-6-16;/h1-4H,5-10,16H2;1H
InChIKeyIKKBFMAJXMHPKC-UHFFFAOYSA-N
XLogP1.50
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.68
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]butan-1-one
CID 119309548
3-amino-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 2756480
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474
3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 54873741
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119279427
(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365249
3-amino-1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119282235
2-[4-(4-bromobenzoyl)piperazin-1-yl]acetic acid
CID 43521570
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(4-bromophenyl)methanone
CID 119309536
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 3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride (CID 119309527) is 3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride is Cl.NCCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is IKKBFMAJXMHPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2.ClH/c15-12-3-1-11(2-4-12)14(20)18-9-7-17(8-10-18)13(19)5-6-16;/h1-4H,5-10,16H2;1H.
What are the key properties of 3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride?
3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 376.68 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119309527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).