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

C20H22N2O4 — CID 93322353

IUPAC(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)c3ccccc3OC)[C@H](C)C2=O)c1
InChIInChI=1S/C20H22N2O4/c1-14-19(23)22(15-7-6-8-16(13-15)25-2)12-11-21(14)20(24)17-9-4-5-10-18(17)26-3/h4-10,13-14H,11-12H2,1-3H3/t14-/m1/s1
InChIKeyBRGBTYKXEQQVNL-CQSZACIVSA-N
MW354.41 g/mol
LogP2.58
Rot. Bonds4

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

(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one (PubChem CID 93322353) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
PubChem CID93322353
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)c3ccccc3OC)[C@H](C)C2=O)c1
InChIInChI=1S/C20H22N2O4/c1-14-19(23)22(15-7-6-8-16(13-15)25-2)12-11-21(14)20(24)17-9-4-5-10-18(17)26-3/h4-10,13-14H,11-12H2,1-3H3/t14-/m1/s1
InChIKeyBRGBTYKXEQQVNL-CQSZACIVSA-N
XLogP2.58
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
CID 24716334
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 24715973
4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 42847339
1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
CID 42847356
1-(3-methoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 46036257
3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one
CID 24716351
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 126441036
(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93292651
1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 71954781
4-(2-chlorobenzoyl)-1-(3-fluorophenyl)-3-methylpiperazin-2-one
CID 24716622

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one (CID 93322353) is (3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one is COc1cccc(N2CCN(C(=O)c3ccccc3OC)[C@H](C)C2=O)c1.
What is the InChIKey of (3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is BRGBTYKXEQQVNL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-19(23)22(15-7-6-8-16(13-15)25-2)12-11-21(14)20(24)17-9-4-5-10-18(17)26-3/h4-10,13-14H,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one has a molecular weight of 354.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93322353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).