tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate

C16H27NO3 — CID 15488079

IUPACtert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1CCCC(=O)C1
InChIInChI=1S/C16H27NO3/c1-16(2,3)20-15(19)17-10-5-4-9-14(17)12-7-6-8-13(18)11-12/h12,14H,4-11H2,1-3H3
InChIKeyMLDLQVARKPCVSE-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.54
Rot. Bonds1

About tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate

tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate (PubChem CID 15488079) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate
PubChem CID15488079
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nametert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1CCCC(=O)C1
InChIInChI=1S/C16H27NO3/c1-16(2,3)20-15(19)17-10-5-4-9-14(17)12-7-6-8-13(18)11-12/h12,14H,4-11H2,1-3H3
InChIKeyMLDLQVARKPCVSE-UHFFFAOYSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-Oxo-3-azabicyclo[3.3.1]nonane-3-carboxylic acid 1,1-dimethylethyl ester
CID 57429706
Tert-butyl 3-(2-oxopropyl)piperidine-1-carboxylate
CID 12017165
1-Boc-4-oxo-1-azaspiro[5.5]undecane
CID 16300344
tert-Butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate
CID 51072194
Tert-butyl 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 52988154
rac-tert-butyl (4aR,8aR)-7-oxo-decahydroquinoline-1-carboxylate
CID 58739323
Tert-butyl 8-oxo-decahydroquinoline-1-carboxylate
CID 58739331
Tert-butyl 6-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 67234017
Tert-butyl 6-oxo-decahydroquinoline-1-carboxylate
CID 72407351
Tert-butyl 7-oxo-2-azaspiro(5.5)undecane-2-carboxylate
CID 83680095
Tert-butyl 5-oxo-decahydroisoquinoline-2-carboxylate
CID 72407354
Tert-butyl 7-oxo-decahydroisoquinoline-2-carboxylate
CID 83488456

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate (CID 15488079) is tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C1CCCC(=O)C1.
What is the InChIKey of tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate?
The InChIKey is MLDLQVARKPCVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-16(2,3)20-15(19)17-10-5-4-9-14(17)12-7-6-8-13(18)11-12/h12,14H,4-11H2,1-3H3.
What are the key properties of tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate?
tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-oxocyclohexyl)piperidine-1-carboxylate is sourced from PubChem (CID 15488079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).