4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione

C25H30N2O3 — CID 4248091

IUPAC4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione
SMILESCOc1ccc(C2C(=O)N(CCc3ccccc3)CC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C25H30N2O3/c1-30-22-14-12-20(13-15-22)24-25(29)26(17-16-19-8-4-2-5-9-19)18-23(28)27(24)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21,24H,3,6-7,10-11,16-18H2,1H3
InChIKeyMVGUQUVPZOSVAQ-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.98
Rot. Bonds6

About 4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione

4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione (PubChem CID 4248091) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione
PubChem CID4248091
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione
SMILESCOc1ccc(C2C(=O)N(CCc3ccccc3)CC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C25H30N2O3/c1-30-22-14-12-20(13-15-22)24-25(29)26(17-16-19-8-4-2-5-9-19)18-23(28)27(24)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21,24H,3,6-7,10-11,16-18H2,1H3
InChIKeyMVGUQUVPZOSVAQ-UHFFFAOYSA-N
XLogP3.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione?
The IUPAC name of 4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione (CID 4248091) is 4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione.
What is the SMILES notation for 4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione?
The canonical SMILES for 4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione is COc1ccc(C2C(=O)N(CCc3ccccc3)CC(=O)N2C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione?
The InChIKey is MVGUQUVPZOSVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-30-22-14-12-20(13-15-22)24-25(29)26(17-16-19-8-4-2-5-9-19)18-23(28)27(24)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21,24H,3,6-7,10-11,16-18H2,1H3.
What are the key properties of 4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione?
4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione has a molecular weight of 406.53 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-(4-methoxyphenyl)-1-(2-phenylethyl)piperazine-2,5-dione is sourced from PubChem (CID 4248091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).