2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate

C15H24N2O4 — CID 135170247

IUPAC2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C15H24N2O4/c1-4-15(2,3)21-14(20)16-9-7-11(8-10-16)17-12(18)5-6-13(17)19/h11H,4-10H2,1-3H3
InChIKeyIZJQQDXYBXOEEY-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.92
Rot. Bonds3

About 2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate

2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate (PubChem CID 135170247) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
PubChem CID135170247
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C15H24N2O4/c1-4-15(2,3)21-14(20)16-9-7-11(8-10-16)17-12(18)5-6-13(17)19/h11H,4-10H2,1-3H3
InChIKeyIZJQQDXYBXOEEY-UHFFFAOYSA-N
XLogP1.92
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate
CID 169083447
2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate
CID 70958185
2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate
CID 89451370
CID 155769975
CID 155769975
2-methylbutan-2-yl 4-(4,4,4-trifluorobutanoyloxy)piperidine-1-carboxylate
CID 123893512
2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate
CID 121355117
2-methylbutan-2-yl 4-(2,2,4,4,4-pentafluorobutanoyloxy)piperidine-1-carboxylate
CID 58070697
2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 129103300
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
CID 67472855
2-methylbutan-2-yl 4-[2-(2-iodobenzoyl)oxypropan-2-yl]piperidine-1-carboxylate
CID 154609252
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
2-methylbutan-2-yl 4-[1-adamantyl(hydroxy)methoxy]piperidine-1-carboxylate
CID 155471145

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate (CID 135170247) is 2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate is CCC(C)(C)OC(=O)N1CCC(N2C(=O)CCC2=O)CC1.
What is the InChIKey of 2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is IZJQQDXYBXOEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-15(2,3)21-14(20)16-9-7-11(8-10-16)17-12(18)5-6-13(17)19/h11H,4-10H2,1-3H3.
What are the key properties of 2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate?
2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 135170247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).