(3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one

C19H19BrN2O2 — CID 93322323

IUPAC(3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
SMILESCc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C19H19BrN2O2/c1-13-3-5-15(6-4-13)19(24)21-11-12-22(18(23)14(21)2)17-9-7-16(20)8-10-17/h3-10,14H,11-12H2,1-2H3/t14-/m0/s1
InChIKeyWDFYJMDTJCGXGX-AWEZNQCLSA-N
MW387.28 g/mol
LogP3.64
Rot. Bonds2

About (3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one

(3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one (PubChem CID 93322323) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is (3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
PubChem CID93322323
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name(3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
SMILESCc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C19H19BrN2O2/c1-13-3-5-15(6-4-13)19(24)21-11-12-22(18(23)14(21)2)17-9-7-16(20)8-10-17/h3-10,14H,11-12H2,1-2H3/t14-/m0/s1
InChIKeyWDFYJMDTJCGXGX-AWEZNQCLSA-N
XLogP3.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-(4-bromobenzoyl)-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 93322933
(3R)-1-(4-chlorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321834
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
(3S)-4-(4-bromobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322610
(3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321791
4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 24716337
1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 71954781
(3S)-1-(3,5-dimethylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93292634
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24716215
(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321676
1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 24716617

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one?
The IUPAC name of (3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one (CID 93322323) is (3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one.
What is the SMILES notation for (3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one?
The canonical SMILES for (3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one is Cc1ccc(C(=O)N2CCN(c3ccc(Br)cc3)C(=O)[C@@H]2C)cc1.
What is the InChIKey of (3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one?
The InChIKey is WDFYJMDTJCGXGX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-13-3-5-15(6-4-13)19(24)21-11-12-22(18(23)14(21)2)17-9-7-16(20)8-10-17/h3-10,14H,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one?
(3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one has a molecular weight of 387.28 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one is sourced from PubChem (CID 93322323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).