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

C19H19BrN2O3 — CID 93322783

IUPAC(3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cccc(Br)c2)[C@H](C)C1=O
InChIInChI=1S/C19H19BrN2O3/c1-13-18(23)22(16-8-3-4-9-17(16)25-2)11-10-21(13)19(24)14-6-5-7-15(20)12-14/h3-9,12-13H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyYHHBFSAXESMOGT-CYBMUJFWSA-N
MW403.28 g/mol
LogP3.34
Rot. Bonds3

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

(3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one (PubChem CID 93322783) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is (3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
PubChem CID93322783
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name(3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cccc(Br)c2)[C@H](C)C1=O
InChIInChI=1S/C19H19BrN2O3/c1-13-18(23)22(16-8-3-4-9-17(16)25-2)11-10-21(13)19(24)14-6-5-7-15(20)12-14/h3-9,12-13H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyYHHBFSAXESMOGT-CYBMUJFWSA-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

(3S)-4-(3-bromobenzoyl)-1-(2-ethoxyphenyl)-3-methylpiperazin-2-one
CID 93114358
(3S)-4-(3-bromobenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 93290677
(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93292651
4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24716235
1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
CID 42847356
1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 71954781
1-(1,3-benzodioxol-5-yl)-4-(3-bromobenzoyl)-3-methylpiperazin-2-one
CID 46155649
(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 93292424
(3S)-4-(4-bromobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322610
(3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one
CID 93292659
1-(3,4-dimethoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24719545
(3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322613

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one (CID 93322783) is (3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one is COc1ccccc1N1CCN(C(=O)c2cccc(Br)c2)[C@H](C)C1=O.
What is the InChIKey of (3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is YHHBFSAXESMOGT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-13-18(23)22(16-8-3-4-9-17(16)25-2)11-10-21(13)19(24)14-6-5-7-15(20)12-14/h3-9,12-13H,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one?
(3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-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 (3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93322783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).