1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione

C15H25N3O2 — CID 6458790

IUPAC1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCN1CCN(C2CC(=O)N(C3CCCCC3)C2=O)CC1
InChIInChI=1S/C15H25N3O2/c1-16-7-9-17(10-8-16)13-11-14(19)18(15(13)20)12-5-3-2-4-6-12/h12-13H,2-11H2,1H3
InChIKeyCNELLFYESJIWEO-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.69
Rot. Bonds2

About 1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione

1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 6458790) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID6458790
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCN1CCN(C2CC(=O)N(C3CCCCC3)C2=O)CC1
InChIInChI=1S/C15H25N3O2/c1-16-7-9-17(10-8-16)13-11-14(19)18(15(13)20)12-5-3-2-4-6-12/h12-13H,2-11H2,1H3
InChIKeyCNELLFYESJIWEO-UHFFFAOYSA-N
XLogP0.69
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 6458790) is 1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione is CN1CCN(C2CC(=O)N(C3CCCCC3)C2=O)CC1.
What is the InChIKey of 1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is CNELLFYESJIWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-16-7-9-17(10-8-16)13-11-14(19)18(15(13)20)12-5-3-2-4-6-12/h12-13H,2-11H2,1H3.
What are the key properties of 1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 279.38 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 6458790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).