tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate

C15H23NO4 — CID 121435468

IUPACtert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C2CCC2)C1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(19)16-8-7-12(17)11(9-16)13(18)10-5-4-6-10/h10-11H,4-9H2,1-3H3
InChIKeyWORHKRDRDQAFMK-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.18
Rot. Bonds2

About tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate

tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate (PubChem CID 121435468) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate
PubChem CID121435468
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nametert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C2CCC2)C1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(19)16-8-7-12(17)11(9-16)13(18)10-5-4-6-10/h10-11H,4-9H2,1-3H3
InChIKeyWORHKRDRDQAFMK-UHFFFAOYSA-N
XLogP2.18
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.18
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 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate
CID 114451411
tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate
CID 124601624
tert-butyl (3R)-3-(2-ethoxy-2-oxoacetyl)-4-oxopiperidine-1-carboxylate
CID 98047446
tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate
CID 11975533
tert-butyl 4-oxo-3-(pyrimidine-2-carbonyl)piperidine-1-carboxylate
CID 67382864
tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate
CID 86318470
tert-butyl 4-oxo-3-pent-4-ynoylpiperidine-1-carboxylate;pent-4-ynoyl chloride
CID 157375996
1-O-tert-butyl 4-O-methyl (4R)-5-oxoazepane-1,4-dicarboxylate
CID 97032423
tert-butyl 3-(4-methoxybenzoyl)-4-oxopiperidine-1-carboxylate
CID 139296234
tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate
CID 146158103
tert-butyl 4-oxo-3-(2-phenylacetyl)piperidine-1-carboxylate
CID 59333761
tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate
CID 114451383

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate (CID 121435468) is tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)C(C(=O)C2CCC2)C1.
What is the InChIKey of tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate?
The InChIKey is WORHKRDRDQAFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)20-14(19)16-8-7-12(17)11(9-16)13(18)10-5-4-6-10/h10-11H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate?
tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 121435468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).