(1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

C19H24N2O4 — CID 134866440

IUPAC(1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCCN1CCC(OC(=O)c2ccccc2N2C(=O)CC(C)C2=O)CC1
InChIInChI=1S/C19H24N2O4/c1-3-20-10-8-14(9-11-20)25-19(24)15-6-4-5-7-16(15)21-17(22)12-13(2)18(21)23/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyRPTPUHQHJSSFJW-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.23
Rot. Bonds4

About (1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

(1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate (PubChem CID 134866440) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
PubChem CID134866440
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCCN1CCC(OC(=O)c2ccccc2N2C(=O)CC(C)C2=O)CC1
InChIInChI=1S/C19H24N2O4/c1-3-20-10-8-14(9-11-20)25-19(24)15-6-4-5-7-16(15)21-17(22)12-13(2)18(21)23/h4-7,13-14H,3,8-12H2,1-2H3
InChIKeyRPTPUHQHJSSFJW-UHFFFAOYSA-N
XLogP2.23
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.23
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 (1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate?
The IUPAC name of (1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate (CID 134866440) is (1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate is CCN1CCC(OC(=O)c2ccccc2N2C(=O)CC(C)C2=O)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate?
The InChIKey is RPTPUHQHJSSFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-3-20-10-8-14(9-11-20)25-19(24)15-6-4-5-7-16(15)21-17(22)12-13(2)18(21)23/h4-7,13-14H,3,8-12H2,1-2H3.
What are the key properties of (1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate?
(1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate has a molecular weight of 344.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl) 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 134866440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).