tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate

C13H23NO4 — CID 67548859

IUPACtert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate
SMILESCC(C)OC1CN(C(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C13H23NO4/c1-9(2)17-11-8-14(7-6-10(11)15)12(16)18-13(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyZVDINUVFXNJDDV-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.99
Rot. Bonds2

About tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate

tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate (PubChem CID 67548859) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate
PubChem CID67548859
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate
SMILESCC(C)OC1CN(C(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C13H23NO4/c1-9(2)17-11-8-14(7-6-10(11)15)12(16)18-13(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyZVDINUVFXNJDDV-UHFFFAOYSA-N
XLogP1.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate
CID 86318470
tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate
CID 11975533
tert-butyl 3-(3-methylbutyl)-4-oxopiperidine-1-carboxylate
CID 114451438
tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate
CID 114451383
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 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 4-oxo-3-propylpiperidine-1-carboxylate
CID 57376569
tert-butyl 3-propan-2-yloxyazetidine-1-carboxylate
CID 59346870
tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate
CID 124601624
tert-butyl (8aR)-8-oxo-1,3,4,6,7,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylate
CID 129371606

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate (CID 67548859) is tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate is CC(C)OC1CN(C(=O)OC(C)(C)C)CCC1=O.
What is the InChIKey of tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate?
The InChIKey is ZVDINUVFXNJDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(2)17-11-8-14(7-6-10(11)15)12(16)18-13(3,4)5/h9,11H,6-8H2,1-5H3.
What are the key properties of tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate?
tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate is sourced from PubChem (CID 67548859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).