1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C20H31N3O4 — CID 55824988

IUPAC1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CCCC1CCCCC1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C20H31N3O4/c24-17(8-4-7-16-5-2-1-3-6-16)21-11-13-22(14-12-21)20(27)15-23-18(25)9-10-19(23)26/h16H,1-15H2
InChIKeyODQKHSZFMZLWSL-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.56
Rot. Bonds6

About 1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 55824988) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID55824988
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CCCC1CCCCC1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C20H31N3O4/c24-17(8-4-7-16-5-2-1-3-6-16)21-11-13-22(14-12-21)20(27)15-23-18(25)9-10-19(23)26/h16H,1-15H2
InChIKeyODQKHSZFMZLWSL-UHFFFAOYSA-N
XLogP1.56
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.56
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-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 55824988) is 1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is O=C(CCCC1CCCCC1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is ODQKHSZFMZLWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c24-17(8-4-7-16-5-2-1-3-6-16)21-11-13-22(14-12-21)20(27)15-23-18(25)9-10-19(23)26/h16H,1-15H2.
What are the key properties of 1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 377.49 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55824988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).