4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile

C15H21N3O2 — CID 10588447

IUPAC4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCCCCC1(CCCC)C(C#N)C(=O)NC(=O)C1C#N
InChIInChI=1S/C15H21N3O2/c1-3-5-7-15(8-6-4-2)11(9-16)13(19)18-14(20)12(15)10-17/h11-12H,3-8H2,1-2H3,(H,18,19,20)
InChIKeyCOTOEBYSUXVRHR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.29
Rot. Bonds6

About 4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile

4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile (PubChem CID 10588447) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile
PubChem CID10588447
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESCCCCC1(CCCC)C(C#N)C(=O)NC(=O)C1C#N
InChIInChI=1S/C15H21N3O2/c1-3-5-7-15(8-6-4-2)11(9-16)13(19)18-14(20)12(15)10-17/h11-12H,3-8H2,1-2H3,(H,18,19,20)
InChIKeyCOTOEBYSUXVRHR-UHFFFAOYSA-N
XLogP2.29
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
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 4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The IUPAC name of 4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile (CID 10588447) is 4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile.
What is the SMILES notation for 4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The canonical SMILES for 4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile is CCCCC1(CCCC)C(C#N)C(=O)NC(=O)C1C#N.
What is the InChIKey of 4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
The InChIKey is COTOEBYSUXVRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-5-7-15(8-6-4-2)11(9-16)13(19)18-14(20)12(15)10-17/h11-12H,3-8H2,1-2H3,(H,18,19,20).
What are the key properties of 4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile?
4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile has a molecular weight of 275.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibutyl-2,6-dioxopiperidine-3,5-dicarbonitrile is sourced from PubChem (CID 10588447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).