3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione

C18H24N2O2 — CID 599871

IUPAC3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(N2CCC(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C18H24N2O2/c1-2-20-17(21)13-16(18(20)22)19-10-8-15(9-11-19)12-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3
InChIKeyQMPXTDFIZSMXBR-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.09
Rot. Bonds4

About 3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione

3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione (PubChem CID 599871) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione
PubChem CID599871
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(N2CCC(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C18H24N2O2/c1-2-20-17(21)13-16(18(20)22)19-10-8-15(9-11-19)12-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3
InChIKeyQMPXTDFIZSMXBR-UHFFFAOYSA-N
XLogP2.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione (CID 599871) is 3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione is CCN1C(=O)CC(N2CCC(Cc3ccccc3)CC2)C1=O.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione?
The InChIKey is QMPXTDFIZSMXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-20-17(21)13-16(18(20)22)19-10-8-15(9-11-19)12-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3.
What are the key properties of 3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione?
3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione has a molecular weight of 300.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-1-ethylpyrrolidine-2,5-dione is sourced from PubChem (CID 599871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).