3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

C14H20N4O4 — CID 146628440

IUPAC3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCN(C)CCN(C)C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C14H20N4O4/c1-16(2)6-7-17(3)10-8-12(20)18(14(10)22)9-4-5-11(19)15-13(9)21/h8-9H,4-7H2,1-3H3,(H,15,19,21)
InChIKeyLOKTYVZKRMYMRL-UHFFFAOYSA-N
MW308.34 g/mol
LogP-1.46
Rot. Bonds5

About 3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (PubChem CID 146628440) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
PubChem CID146628440
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCN(C)CCN(C)C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C14H20N4O4/c1-16(2)6-7-17(3)10-8-12(20)18(14(10)22)9-4-5-11(19)15-13(9)21/h8-9H,4-7H2,1-3H3,(H,15,19,21)
InChIKeyLOKTYVZKRMYMRL-UHFFFAOYSA-N
XLogP-1.46
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (CID 146628440) is 3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is CN(C)CCN(C)C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is LOKTYVZKRMYMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-16(2)6-7-17(3)10-8-12(20)18(14(10)22)9-4-5-11(19)15-13(9)21/h8-9H,4-7H2,1-3H3,(H,15,19,21).
What are the key properties of 3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 308.34 g/mol, XLogP of -1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(dimethylamino)ethyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 146628440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).