3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

C23H33N3O3 — CID 25266785

IUPAC3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CCN(CCN2C(=O)CC(C3CCCCC3)C2=O)CC1
InChIInChI=1S/C23H33N3O3/c1-29-21-10-6-5-9-20(21)25-14-11-24(12-15-25)13-16-26-22(27)17-19(23(26)28)18-7-3-2-4-8-18/h5-6,9-10,18-19H,2-4,7-8,11-17H2,1H3
InChIKeyOPEFAFJPXBCOEF-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.77
Rot. Bonds6

About 3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 25266785) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID25266785
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CCN(CCN2C(=O)CC(C3CCCCC3)C2=O)CC1
InChIInChI=1S/C23H33N3O3/c1-29-21-10-6-5-9-20(21)25-14-11-24(12-15-25)13-16-26-22(27)17-19(23(26)28)18-7-3-2-4-8-18/h5-6,9-10,18-19H,2-4,7-8,11-17H2,1H3
InChIKeyOPEFAFJPXBCOEF-UHFFFAOYSA-N
XLogP2.77
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 25266785) is 3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is COc1ccccc1N1CCN(CCN2C(=O)CC(C3CCCCC3)C2=O)CC1.
What is the InChIKey of 3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is OPEFAFJPXBCOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-29-21-10-6-5-9-20(21)25-14-11-24(12-15-25)13-16-26-22(27)17-19(23(26)28)18-7-3-2-4-8-18/h5-6,9-10,18-19H,2-4,7-8,11-17H2,1H3.
What are the key properties of 3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 399.54 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 25266785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).