(3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one

C18H16BrClN2O2 — CID 93322933

IUPAC(3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one
SMILESC[C@@H]1C(=O)N(c2ccc(Cl)cc2)CCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrClN2O2/c1-12-17(23)22(16-8-6-15(20)7-9-16)11-10-21(12)18(24)13-2-4-14(19)5-3-13/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyIQEJKBZHHLCCMP-GFCCVEGCSA-N
MW407.70 g/mol
LogP3.98
Rot. Bonds2

About (3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one

(3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one (PubChem CID 93322933) has the molecular formula C18H16BrClN2O2 and a molecular weight of 407.70 g/mol. Its IUPAC name is (3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one
PubChem CID93322933
Molecular FormulaC18H16BrClN2O2
Molecular Weight407.70 g/mol
Exact Mass406.01
IUPAC Name(3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one
SMILESC[C@@H]1C(=O)N(c2ccc(Cl)cc2)CCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrClN2O2/c1-12-17(23)22(16-8-6-15(20)7-9-16)11-10-21(12)18(24)13-2-4-14(19)5-3-13/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyIQEJKBZHHLCCMP-GFCCVEGCSA-N
XLogP3.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.70
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(4-chlorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321834
(3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93322323
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24716215
(3S)-4-(4-bromobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322610
(3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 93288984
4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one
CID 42847343
(3S)-1-(3-chloro-4-fluorophenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93322724
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 71954781
3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 46036191
(3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93321508
(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 93322917

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one (CID 93322933) is (3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one is C[C@@H]1C(=O)N(c2ccc(Cl)cc2)CCN1C(=O)c1ccc(Br)cc1.
What is the InChIKey of (3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
The InChIKey is IQEJKBZHHLCCMP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16BrClN2O2/c1-12-17(23)22(16-8-6-15(20)7-9-16)11-10-21(12)18(24)13-2-4-14(19)5-3-13/h2-9,12H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one?
(3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one has a molecular weight of 407.70 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93322933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).