4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one

C26H26N2O5 — CID 42847339

IUPAC4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
SMILESCOc1cccc(OC)c1C(=O)N1CCN(c2ccc(Oc3ccccc3)cc2)C(=O)C1C
InChIInChI=1S/C26H26N2O5/c1-18-25(29)28(19-12-14-21(15-13-19)33-20-8-5-4-6-9-20)17-16-27(18)26(30)24-22(31-2)10-7-11-23(24)32-3/h4-15,18H,16-17H2,1-3H3
InChIKeyFXAOJIPTFDELQU-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.37
Rot. Bonds6

About 4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one

4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one (PubChem CID 42847339) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
PubChem CID42847339
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
SMILESCOc1cccc(OC)c1C(=O)N1CCN(c2ccc(Oc3ccccc3)cc2)C(=O)C1C
InChIInChI=1S/C26H26N2O5/c1-18-25(29)28(19-12-14-21(15-13-19)33-20-8-5-4-6-9-20)17-16-27(18)26(30)24-22(31-2)10-7-11-23(24)32-3/h4-15,18H,16-17H2,1-3H3
InChIKeyFXAOJIPTFDELQU-UHFFFAOYSA-N
XLogP4.37
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292450
(3S)-4-(3-bromobenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 93290677
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 42847320
1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 71954781
1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
CID 24716334
1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036089
(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93292651
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24716215
(3S)-1-(4-methoxyphenyl)-3-methyl-4-(thiophene-3-carbonyl)piperazin-2-one
CID 96579371
(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 93292424

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one?
The IUPAC name of 4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one (CID 42847339) is 4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one is COc1cccc(OC)c1C(=O)N1CCN(c2ccc(Oc3ccccc3)cc2)C(=O)C1C.
What is the InChIKey of 4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one?
The InChIKey is FXAOJIPTFDELQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-18-25(29)28(19-12-14-21(15-13-19)33-20-8-5-4-6-9-20)17-16-27(18)26(30)24-22(31-2)10-7-11-23(24)32-3/h4-15,18H,16-17H2,1-3H3.
What are the key properties of 4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one?
4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one has a molecular weight of 446.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxybenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one is sourced from PubChem (CID 42847339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).