(3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one

C20H21ClN2O4 — CID 93322613

IUPAC(3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)[C@H](C)C2=O)cc1OC
InChIInChI=1S/C20H21ClN2O4/c1-13-19(24)23(16-7-8-17(26-2)18(12-16)27-3)10-9-22(13)20(25)14-5-4-6-15(21)11-14/h4-8,11-13H,9-10H2,1-3H3/t13-/m1/s1
InChIKeyNPGDMBDRAKMNTD-CYBMUJFWSA-N
MW388.85 g/mol
LogP3.23
Rot. Bonds4

About (3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one

(3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one (PubChem CID 93322613) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is (3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
PubChem CID93322613
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name(3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)[C@H](C)C2=O)cc1OC
InChIInChI=1S/C20H21ClN2O4/c1-13-19(24)23(16-7-8-17(26-2)18(12-16)27-3)10-9-22(13)20(25)14-5-4-6-15(21)11-14/h4-8,11-13H,9-10H2,1-3H3/t13-/m1/s1
InChIKeyNPGDMBDRAKMNTD-CYBMUJFWSA-N
XLogP3.23
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 93292424
1-(3,4-dimethoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24719545
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 42847320
(3S)-4-(4-bromobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322610
(3S)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 93322608
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
4-(cyclopropanecarbonyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 24715846
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
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24716215
4-(3,4-dimethoxyphenyl)-2-methyl-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
CID 24716696
1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 71954781

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one (CID 93322613) is (3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one is COc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)[C@H](C)C2=O)cc1OC.
What is the InChIKey of (3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is NPGDMBDRAKMNTD-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-13-19(24)23(16-7-8-17(26-2)18(12-16)27-3)10-9-22(13)20(25)14-5-4-6-15(21)11-14/h4-8,11-13H,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one?
(3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one has a molecular weight of 388.85 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93322613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).