tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate

C14H25NO4 — CID 11975533

IUPACtert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate
SMILESCC(C)[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C14H25NO4/c1-9(2)12(17)10-8-15(7-6-11(10)16)13(18)19-14(3,4)5/h9-10,12,17H,6-8H2,1-5H3/t10-,12+/m0/s1
InChIKeyPGIYNDQJVHDOQK-CMPLNLGQSA-N
MW271.36 g/mol
LogP1.83
Rot. Bonds2

About tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate

tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate (PubChem CID 11975533) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate
PubChem CID11975533
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate
SMILESCC(C)[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C14H25NO4/c1-9(2)12(17)10-8-15(7-6-11(10)16)13(18)19-14(3,4)5/h9-10,12,17H,6-8H2,1-5H3/t10-,12+/m0/s1
InChIKeyPGIYNDQJVHDOQK-CMPLNLGQSA-N
XLogP1.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate
CID 114451383
tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate
CID 67548859
tert-butyl 3-(3-methylbutyl)-4-oxopiperidine-1-carboxylate
CID 114451438
tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate
CID 86318470
tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate
CID 124601624
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-(1-methoxypent-4-ynyl)-4-oxopiperidine-1-carboxylate
CID 23553895
tert-butyl (3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-1-carboxylate
CID 67334474
tert-butyl 3-(2-hydroxy-2-methylpropyl)-4-oxopiperidine-1-carboxylate
CID 114451413
tert-butyl 4-oxo-3-propylpiperidine-1-carboxylate
CID 57376569
tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate
CID 121435468

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate (CID 11975533) is tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate is CC(C)[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O.
What is the InChIKey of tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate?
The InChIKey is PGIYNDQJVHDOQK-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H25NO4/c1-9(2)12(17)10-8-15(7-6-11(10)16)13(18)19-14(3,4)5/h9-10,12,17H,6-8H2,1-5H3/t10-,12+/m0/s1.
What are the key properties of tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate?
tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 11975533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).