tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate

C15H27NO3 — CID 114451383

IUPACtert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate
SMILESCCC(CC)C1CN(C(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C15H27NO3/c1-6-11(7-2)12-10-16(9-8-13(12)17)14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyDXZWIKOWZYBOIB-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.25
Rot. Bonds3

About tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate

tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate (PubChem CID 114451383) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate
PubChem CID114451383
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate
SMILESCCC(CC)C1CN(C(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C15H27NO3/c1-6-11(7-2)12-10-16(9-8-13(12)17)14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyDXZWIKOWZYBOIB-UHFFFAOYSA-N
XLogP3.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate
CID 11975533
tert-butyl 4-oxo-3-propylpiperidine-1-carboxylate
CID 57376569
tert-butyl 3-(3-methylbutyl)-4-oxopiperidine-1-carboxylate
CID 114451438
tert-butyl 3-(1-methoxypent-4-ynyl)-4-oxopiperidine-1-carboxylate
CID 23553895
tert-butyl 3-(2-hydroxy-2-methylpropyl)-4-oxopiperidine-1-carboxylate
CID 114451413
tert-butyl (3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-1-carboxylate
CID 67334474
tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate
CID 86318470
tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate
CID 67548859
tert-butyl 3-(3-hydroxy-2-methylpropyl)-4-oxopiperidine-1-carboxylate
CID 114451390
tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate
CID 146158103
tert-butyl 4-oxo-3-(2-propoxyethyl)piperidine-1-carboxylate
CID 106454396
tert-butyl (3R)-3-(2-ethoxy-2-oxoacetyl)-4-oxopiperidine-1-carboxylate
CID 98047446

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate (CID 114451383) is tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate is CCC(CC)C1CN(C(=O)OC(C)(C)C)CCC1=O.
What is the InChIKey of tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate?
The InChIKey is DXZWIKOWZYBOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-6-11(7-2)12-10-16(9-8-13(12)17)14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate?
tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate is sourced from PubChem (CID 114451383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).