1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone

C14H16BrClN2O3 — CID 103841681

IUPAC1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C14H16BrClN2O3/c1-21-9-13(19)17-4-6-18(7-5-17)14(20)10-2-3-12(16)11(15)8-10/h2-3,8H,4-7,9H2,1H3
InChIKeyZAPZPTZWPAKKIJ-UHFFFAOYSA-N
MW375.65 g/mol
LogP2.03
Rot. Bonds3

About 1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone

1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 103841681) has the molecular formula C14H16BrClN2O3 and a molecular weight of 375.65 g/mol. Its IUPAC name is 1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
PubChem CID103841681
Molecular FormulaC14H16BrClN2O3
Molecular Weight375.65 g/mol
Exact Mass374.00
IUPAC Name1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C14H16BrClN2O3/c1-21-9-13(19)17-4-6-18(7-5-17)14(20)10-2-3-12(16)11(15)8-10/h2-3,8H,4-7,9H2,1H3
InChIKeyZAPZPTZWPAKKIJ-UHFFFAOYSA-N
XLogP2.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.65
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776285
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776283
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 108537013
azocan-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841525
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 108544814
1-[4-(2-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 78891868
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108533555
(3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107999537
(3-bromo-4-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107993546
(3-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103841992
[4-[3-bromo-4-(2-methoxyethoxy)benzoyl]piperazin-1-yl]-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
CID 17357131
1-[4-(2,4-dibromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 103882529

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone (CID 103841681) is 1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1.
What is the InChIKey of 1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is ZAPZPTZWPAKKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O3/c1-21-9-13(19)17-4-6-18(7-5-17)14(20)10-2-3-12(16)11(15)8-10/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 375.65 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 103841681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).