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

C24H34N2O3 — CID 3401054

IUPAC1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione
SMILESCOc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C24H34N2O3/c1-29-21-15-13-18(14-16-21)23-24(28)25(19-9-5-2-3-6-10-19)17-22(27)26(23)20-11-7-4-8-12-20/h13-16,19-20,23H,2-12,17H2,1H3
InChIKeyYIVDKBOAHJTESK-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.46
Rot. Bonds4

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

1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione (PubChem CID 3401054) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione
PubChem CID3401054
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione
SMILESCOc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C24H34N2O3/c1-29-21-15-13-18(14-16-21)23-24(28)25(19-9-5-2-3-6-10-19)17-22(27)26(23)20-11-7-4-8-12-20/h13-16,19-20,23H,2-12,17H2,1H3
InChIKeyYIVDKBOAHJTESK-UHFFFAOYSA-N
XLogP4.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione (CID 3401054) is 1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione is COc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2C2CCCCC2)cc1.
What is the InChIKey of 1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione?
The InChIKey is YIVDKBOAHJTESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-29-21-15-13-18(14-16-21)23-24(28)25(19-9-5-2-3-6-10-19)17-22(27)26(23)20-11-7-4-8-12-20/h13-16,19-20,23H,2-12,17H2,1H3.
What are the key properties of 1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione?
1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione has a molecular weight of 398.55 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione is sourced from PubChem (CID 3401054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).