1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one

C19H19BrN2O3 — CID 71954781

IUPAC1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCOc1cccc(C(=O)N2CCN(c3ccc(Br)cc3)C(=O)C2C)c1
InChIInChI=1S/C19H19BrN2O3/c1-13-18(23)22(16-8-6-15(20)7-9-16)11-10-21(13)19(24)14-4-3-5-17(12-14)25-2/h3-9,12-13H,10-11H2,1-2H3
InChIKeyZKNAMJYHZASKFX-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.34
Rot. Bonds3

About 1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one

1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one (PubChem CID 71954781) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
PubChem CID71954781
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCOc1cccc(C(=O)N2CCN(c3ccc(Br)cc3)C(=O)C2C)c1
InChIInChI=1S/C19H19BrN2O3/c1-13-18(23)22(16-8-6-15(20)7-9-16)11-10-21(13)19(24)14-4-3-5-17(12-14)25-2/h3-9,12-13H,10-11H2,1-2H3
InChIKeyZKNAMJYHZASKFX-UHFFFAOYSA-N
XLogP3.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036089
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
(3S)-4-(3-bromobenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 93290677
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 42847320
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
(3S)-4-(4-bromobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322610
(3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93322323
(3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 93321433
(3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 93322933
1-(3-methoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 46036257
(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 93292424

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one (CID 71954781) is 1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one is COc1cccc(C(=O)N2CCN(c3ccc(Br)cc3)C(=O)C2C)c1.
What is the InChIKey of 1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one?
The InChIKey is ZKNAMJYHZASKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-13-18(23)22(16-8-6-15(20)7-9-16)11-10-21(13)19(24)14-4-3-5-17(12-14)25-2/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one?
1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one has a molecular weight of 403.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 71954781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).