(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one

C21H24N2O4 — CID 93292424

IUPAC(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3cccc(C)c3)[C@H](C)C2=O)cc1OC
InChIInChI=1S/C21H24N2O4/c1-14-6-5-7-16(12-14)21(25)22-10-11-23(20(24)15(22)2)17-8-9-18(26-3)19(13-17)27-4/h5-9,12-13,15H,10-11H2,1-4H3/t15-/m1/s1
InChIKeyNHGYWLQZDLGMAE-OAHLLOKOSA-N
MW368.43 g/mol
LogP2.89
Rot. Bonds4

About (3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one

(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one (PubChem CID 93292424) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
PubChem CID93292424
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3cccc(C)c3)[C@H](C)C2=O)cc1OC
InChIInChI=1S/C21H24N2O4/c1-14-6-5-7-16(12-14)21(25)22-10-11-23(20(24)15(22)2)17-8-9-18(26-3)19(13-17)27-4/h5-9,12-13,15H,10-11H2,1-4H3/t15-/m1/s1
InChIKeyNHGYWLQZDLGMAE-OAHLLOKOSA-N
XLogP2.89
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-(4-bromobenzoyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322610
3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 46036208
(3S)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 93322608
4-(cyclopropanecarbonyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 24715846
1-(3,4-dimethylphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24718836
4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one
CID 42847343
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)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one?
The IUPAC name of (3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one (CID 93292424) is (3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one.
What is the SMILES notation for (3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one?
The canonical SMILES for (3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one is COc1ccc(N2CCN(C(=O)c3cccc(C)c3)[C@H](C)C2=O)cc1OC.
What is the InChIKey of (3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one?
The InChIKey is NHGYWLQZDLGMAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-6-5-7-16(12-14)21(25)22-10-11-23(20(24)15(22)2)17-8-9-18(26-3)19(13-17)27-4/h5-9,12-13,15H,10-11H2,1-4H3/t15-/m1/s1.
What are the key properties of (3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one?
(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one has a molecular weight of 368.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one is sourced from PubChem (CID 93292424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).