tert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate

C16H25NO4 — CID 90871417

IUPACtert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC(=O)CC1C1CCCCC1
InChIInChI=1S/C16H25NO4/c1-16(2,3)21-15(20)17-13(9-12(18)10-14(17)19)11-7-5-4-6-8-11/h11,13H,4-10H2,1-3H3
InChIKeyJRRUWBNEWJZBMW-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.06
Rot. Bonds1

About tert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate

tert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate (PubChem CID 90871417) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate
PubChem CID90871417
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nametert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC(=O)CC1C1CCCCC1
InChIInChI=1S/C16H25NO4/c1-16(2,3)21-15(20)17-13(9-12(18)10-14(17)19)11-7-5-4-6-8-11/h11,13H,4-10H2,1-3H3
InChIKeyJRRUWBNEWJZBMW-UHFFFAOYSA-N
XLogP3.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-cyclohexylpiperidine-1-carboxylate
CID 164666573
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl 2-(4,4-difluorocyclohexyl)-5-oxopyrrolidine-1-carboxylate
CID 146633700
tert-butyl 2-(3-methoxyoxiran-2-yl)-6-oxopiperidine-1-carboxylate
CID 163658790
tert-butyl (3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[2,3-c]pyridine-1-carboxylate
CID 96591420
tert-butyl (3aR,6aS)-2-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazole-3-carboxylate
CID 58464091
tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate
CID 99978734
tert-butyl 7-oxo-3,4,5,5a,6,8,9,9a-octahydro-2H-benzo[b]azepine-1-carboxylate
CID 83488863
tert-butyl (3aS,7aS)-2-methoxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
CID 53473102
ditert-butyl (3aR,7aR)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole-1,3-dicarboxylate
CID 15357285
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 73171544
tert-butyl (2R)-2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 124704515

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate (CID 90871417) is tert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC(=O)CC1C1CCCCC1.
What is the InChIKey of tert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate?
The InChIKey is JRRUWBNEWJZBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(2,3)21-15(20)17-13(9-12(18)10-14(17)19)11-7-5-4-6-8-11/h11,13H,4-10H2,1-3H3.
What are the key properties of tert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate?
tert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclohexyl-4,6-dioxopiperidine-1-carboxylate is sourced from PubChem (CID 90871417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).