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

C14H20N4O4 — CID 146628521

IUPAC3-[3-[3-(dimethylamino)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCN(C)CCCNC1=CC(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C14H20N4O4/c1-17(2)7-3-6-15-9-8-12(20)18(14(9)22)10-4-5-11(19)16-13(10)21/h8,10,15H,3-7H2,1-2H3,(H,16,19,21)
InChIKeyFZNRSPPNHPYYHJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP-1.41
Rot. Bonds6

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

3-[3-[3-(dimethylamino)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (PubChem CID 146628521) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[3-[3-(dimethylamino)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[3-(dimethylamino)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
PubChem CID146628521
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name3-[3-[3-(dimethylamino)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCN(C)CCCNC1=CC(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C14H20N4O4/c1-17(2)7-3-6-15-9-8-12(20)18(14(9)22)10-4-5-11(19)16-13(10)21/h8,10,15H,3-7H2,1-2H3,(H,16,19,21)
InChIKeyFZNRSPPNHPYYHJ-UHFFFAOYSA-N
XLogP-1.41
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(dimethylamino)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[3-(dimethylamino)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (CID 146628521) is 3-[3-[3-(dimethylamino)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[3-(dimethylamino)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[3-(dimethylamino)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is CN(C)CCCNC1=CC(=O)N(C2CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-[3-[3-(dimethylamino)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is FZNRSPPNHPYYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-17(2)7-3-6-15-9-8-12(20)18(14(9)22)10-4-5-11(19)16-13(10)21/h8,10,15H,3-7H2,1-2H3,(H,16,19,21).
What are the key properties of 3-[3-[3-(dimethylamino)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
3-[3-[3-(dimethylamino)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 308.34 g/mol, XLogP of -1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(dimethylamino)propylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 146628521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).