(3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one

C23H22N2O3 — CID 93292659

IUPAC(3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one
SMILESCOc1ccc(C(=O)N2CCN(c3cccc4ccccc34)C(=O)[C@H]2C)cc1
InChIInChI=1S/C23H22N2O3/c1-16-22(26)25(21-9-5-7-17-6-3-4-8-20(17)21)15-14-24(16)23(27)18-10-12-19(28-2)13-11-18/h3-13,16H,14-15H2,1-2H3/t16-/m1/s1
InChIKeyDCFIWHPWAPZPMV-MRXNPFEDSA-N
MW374.44 g/mol
LogP3.73
Rot. Bonds3

About (3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one

(3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one (PubChem CID 93292659) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one
PubChem CID93292659
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one
SMILESCOc1ccc(C(=O)N2CCN(c3cccc4ccccc34)C(=O)[C@H]2C)cc1
InChIInChI=1S/C23H22N2O3/c1-16-22(26)25(21-9-5-7-17-6-3-4-8-20(17)21)15-14-24(16)23(27)18-10-12-19(28-2)13-11-18/h3-13,16H,14-15H2,1-2H3/t16-/m1/s1
InChIKeyDCFIWHPWAPZPMV-MRXNPFEDSA-N
XLogP3.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036549
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036020
1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036453
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 42847320
1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 24716617
(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321676
(3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321791
(3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322783
1-(3-methoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 46036257
(3S)-1-(4-methoxyphenyl)-3-methyl-4-(thiophene-3-carbonyl)piperazin-2-one
CID 96579371

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one?
The IUPAC name of (3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one (CID 93292659) is (3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one.
What is the SMILES notation for (3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one?
The canonical SMILES for (3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one is COc1ccc(C(=O)N2CCN(c3cccc4ccccc34)C(=O)[C@H]2C)cc1.
What is the InChIKey of (3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one?
The InChIKey is DCFIWHPWAPZPMV-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-22(26)25(21-9-5-7-17-6-3-4-8-20(17)21)15-14-24(16)23(27)18-10-12-19(28-2)13-11-18/h3-13,16H,14-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one?
(3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-methoxybenzoyl)-3-methyl-1-naphthalen-1-ylpiperazin-2-one is sourced from PubChem (CID 93292659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).