1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione

C20H35N3O2 — CID 16763141

IUPAC1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCCC1CCN(CCC2CCN(C3CC(=O)N(CC)C3=O)CC2)CC1
InChIInChI=1S/C20H35N3O2/c1-3-16-5-10-21(11-6-16)12-7-17-8-13-22(14-9-17)18-15-19(24)23(4-2)20(18)25/h16-18H,3-15H2,1-2H3
InChIKeyGCMJBQSNHPQVJR-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.36
Rot. Bonds6

About 1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione

1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 16763141) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID16763141
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
SMILESCCC1CCN(CCC2CCN(C3CC(=O)N(CC)C3=O)CC2)CC1
InChIInChI=1S/C20H35N3O2/c1-3-16-5-10-21(11-6-16)12-7-17-8-13-22(14-9-17)18-15-19(24)23(4-2)20(18)25/h16-18H,3-15H2,1-2H3
InChIKeyGCMJBQSNHPQVJR-UHFFFAOYSA-N
XLogP2.36
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.36
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-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione (CID 16763141) is 1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione is CCC1CCN(CCC2CCN(C3CC(=O)N(CC)C3=O)CC2)CC1.
What is the InChIKey of 1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is GCMJBQSNHPQVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-3-16-5-10-21(11-6-16)12-7-17-8-13-22(14-9-17)18-15-19(24)23(4-2)20(18)25/h16-18H,3-15H2,1-2H3.
What are the key properties of 1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 349.52 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[2-(4-ethylpiperidin-1-yl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 16763141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).