3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one

C21H24N2O4 — CID 110420424

IUPAC3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one
SMILESCOc1ccc(CCC(=O)N2CCNC(=O)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-17-8-3-15(4-9-17)5-12-19(24)23-14-13-22-21(25)20(23)16-6-10-18(27-2)11-7-16/h3-4,6-11,20H,5,12-14H2,1-2H3,(H,22,25)
InChIKeyUFUQRQSORGPKGD-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.34
Rot. Bonds6

About 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one

3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one (PubChem CID 110420424) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one
PubChem CID110420424
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one
SMILESCOc1ccc(CCC(=O)N2CCNC(=O)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H24N2O4/c1-26-17-8-3-15(4-9-17)5-12-19(24)23-14-13-22-21(25)20(23)16-6-10-18(27-2)11-7-16/h3-4,6-11,20H,5,12-14H2,1-2H3,(H,22,25)
InChIKeyUFUQRQSORGPKGD-UHFFFAOYSA-N
XLogP2.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
3-(4-chlorophenyl)-4-[3-(3-methoxyphenyl)propanoyl]piperazin-2-one
CID 110644775
4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110644941
1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110426013
4-(3,5-dimethoxybenzoyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644929
4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644909
3-(3-chlorophenyl)-4-[3-(4-ethylphenyl)propanoyl]piperazin-2-one
CID 110656877
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
4-(adamantane-1-carbonyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644969
4-[2-(3-methoxyphenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728500
4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
CID 110728490
3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one
CID 110420415

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one (CID 110420424) is 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one is COc1ccc(CCC(=O)N2CCNC(=O)C2c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one?
The InChIKey is UFUQRQSORGPKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-17-8-3-15(4-9-17)5-12-19(24)23-14-13-22-21(25)20(23)16-6-10-18(27-2)11-7-16/h3-4,6-11,20H,5,12-14H2,1-2H3,(H,22,25).
What are the key properties of 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one?
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one has a molecular weight of 368.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one is sourced from PubChem (CID 110420424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).