tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate

C16H27NO3 — CID 116685241

IUPACtert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate
SMILESCC1CCCC(C2CCCC2=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO3/c1-11-7-5-9-13(12-8-6-10-14(12)18)17(11)15(19)20-16(2,3)4/h11-13H,5-10H2,1-4H3
InChIKeyJZIMZKKFZOLWGJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.53
Rot. Bonds1

About tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate

tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate (PubChem CID 116685241) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate
PubChem CID116685241
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nametert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate
SMILESCC1CCCC(C2CCCC2=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO3/c1-11-7-5-9-13(12-8-6-10-14(12)18)17(11)15(19)20-16(2,3)4/h11-13H,5-10H2,1-4H3
InChIKeyJZIMZKKFZOLWGJ-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-methyl-6-(2-oxocycloheptyl)piperidine-1-carboxylate
CID 104892473
tert-butyl 2-methyl-6-(5-methyl-2-oxocyclohexyl)piperidine-1-carboxylate
CID 104892476
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
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CID 86334648
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CID 71724109
tert-butyl (2R,4aS,7R,8aS)-7-[(1S,4aS,8aR)-4-oxo-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-2-methyl-5-oxo-2,3,4,4a,6,7,8,8a-octahydroquinoline-1-carboxylate
CID 139252605
tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate
CID 90048538
tert-butyl 7-oxo-2-azabicyclo[4.2.0]octane-2-carboxylate
CID 58739322
tert-butyl (1S,2S,3S,8R,11R,12S,13R,16S,18R)-12-hydroxy-16-methyl-9-oxo-17-azapentacyclo[10.7.1.02,11.03,8.013,18]icosane-17-carboxylate
CID 46938876
tert-butyl (1S,2S,8R,11R,12S,13R,16S,18R)-12-hydroxy-16-methyl-9-oxo-17-azapentacyclo[10.7.1.02,11.03,8.013,18]icosane-17-carboxylate
CID 134943520
tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
CID 10900787
tert-butyl (1S,5S)-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 86811260

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate (CID 116685241) is tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate is CC1CCCC(C2CCCC2=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate?
The InChIKey is JZIMZKKFZOLWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-11-7-5-9-13(12-8-6-10-14(12)18)17(11)15(19)20-16(2,3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate?
tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate is sourced from PubChem (CID 116685241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).