1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C16H28N2O2 — CID 82734658

IUPAC1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCCC1CCCNC1CN1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C16H28N2O2/c1-5-12-7-6-8-17-13(12)10-18-14(19)9-16(4,11(2)3)15(18)20/h11-13,17H,5-10H2,1-4H3
InChIKeySEZKSCIQGUPJDQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.19
Rot. Bonds4

About 1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 82734658) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID82734658
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCCC1CCCNC1CN1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C16H28N2O2/c1-5-12-7-6-8-17-13(12)10-18-14(19)9-16(4,11(2)3)15(18)20/h11-13,17H,5-10H2,1-4H3
InChIKeySEZKSCIQGUPJDQ-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
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 1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 82734658) is 1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CCC1CCCNC1CN1C(=O)CC(C)(C(C)C)C1=O.
What is the InChIKey of 1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is SEZKSCIQGUPJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-12-7-6-8-17-13(12)10-18-14(19)9-16(4,11(2)3)15(18)20/h11-13,17H,5-10H2,1-4H3.
What are the key properties of 1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylpiperidin-2-yl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 82734658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).