(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane

C19H30N4O6 — CID 144622419

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane
SMILESCCC.O=C(CCCN1C(=O)CC(N2CCNCC2)C1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H22N4O6.C3H8/c21-12-3-4-13(22)20(12)26-15(24)2-1-7-19-14(23)10-11(16(19)25)18-8-5-17-6-9-18;1-3-2/h11,17H,1-10H2;3H2,1-2H3
InChIKeyAXAAECUUTAMUDG-UHFFFAOYSA-N
MW410.47 g/mol
LogP-0.18
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane

(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane (PubChem CID 144622419) has the molecular formula C19H30N4O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane
PubChem CID144622419
Molecular FormulaC19H30N4O6
Molecular Weight410.47 g/mol
Exact Mass410.22
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane
SMILESCCC.O=C(CCCN1C(=O)CC(N2CCNCC2)C1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H22N4O6.C3H8/c21-12-3-4-13(22)20(12)26-15(24)2-1-7-19-14(23)10-11(16(19)25)18-8-5-17-6-9-18;1-3-2/h11,17H,1-10H2;3H2,1-2H3
InChIKeyAXAAECUUTAMUDG-UHFFFAOYSA-N
XLogP-0.18
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(1,4-diazepan-1-yl)-1-propylpyrrolidine-2,5-dione
CID 43636514
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;4-(2,5-dioxopyrrol-1-yl)-N-methylbutanamide;methanamine;N-methyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide
CID 158310714
(3R)-1-ethyl-3-[4-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1221385
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(3-deuterio-2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoate;methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoate
CID 160510388
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536
[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxo(1,2,4,5-13C4)pentyl]-dimethylazanium
CID 177070574
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane (CID 144622419) is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane is CCC.O=C(CCCN1C(=O)CC(N2CCNCC2)C1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane?
The InChIKey is AXAAECUUTAMUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O6.C3H8/c21-12-3-4-13(22)20(12)26-15(24)2-1-7-19-14(23)10-11(16(19)25)18-8-5-17-6-9-18;1-3-2/h11,17H,1-10H2;3H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane?
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane has a molecular weight of 410.47 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxo-3-piperazin-1-ylpyrrolidin-1-yl)butanoate;propane is sourced from PubChem (CID 144622419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).