1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione

C27H26N2O4 — CID 71963921

IUPAC1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione
SMILESCOc1ccc(N2C(=O)CN(c3ccccc3OC)C(=O)C2C(C)=Cc2ccccc2)cc1
InChIInChI=1S/C27H26N2O4/c1-19(17-20-9-5-4-6-10-20)26-27(31)28(23-11-7-8-12-24(23)33-3)18-25(30)29(26)21-13-15-22(32-2)16-14-21/h4-17,26H,18H2,1-3H3
InChIKeyKEYURPTXUUETJX-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.56
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione

1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione (PubChem CID 71963921) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione
PubChem CID71963921
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione
SMILESCOc1ccc(N2C(=O)CN(c3ccccc3OC)C(=O)C2C(C)=Cc2ccccc2)cc1
InChIInChI=1S/C27H26N2O4/c1-19(17-20-9-5-4-6-10-20)26-27(31)28(23-11-7-8-12-24(23)33-3)18-25(30)29(26)21-13-15-22(32-2)16-14-21/h4-17,26H,18H2,1-3H3
InChIKeyKEYURPTXUUETJX-UHFFFAOYSA-N
XLogP4.56
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-3-ethenyl-1-(4-methoxyphenyl)-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one
CID 10064561
(3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione
CID 7693903
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 4750076
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
3-methoxy-1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 14738029
(4-methoxyphenyl) (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057175
1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-phenyl-2H-pyrrol-5-one
CID 71190790
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
3-acetyl-1-(4-methoxyphenyl)pyrrolidine-2,4-dione
CID 18926731

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione?
The IUPAC name of 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione (CID 71963921) is 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione is COc1ccc(N2C(=O)CN(c3ccccc3OC)C(=O)C2C(C)=Cc2ccccc2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione?
The InChIKey is KEYURPTXUUETJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-19(17-20-9-5-4-6-10-20)26-27(31)28(23-11-7-8-12-24(23)33-3)18-25(30)29(26)21-13-15-22(32-2)16-14-21/h4-17,26H,18H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione?
1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione has a molecular weight of 442.52 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 71963921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).