tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate

C11H19NO4 — CID 86318470

IUPACtert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate
SMILESCO[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-5-8(13)9(7-12)15-4/h9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyDXHPWDBZWRHQRX-SECBINFHSA-N
MW229.28 g/mol
LogP1.21
Rot. Bonds1

About tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate

tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate (PubChem CID 86318470) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate
PubChem CID86318470
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate
SMILESCO[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-5-8(13)9(7-12)15-4/h9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyDXHPWDBZWRHQRX-SECBINFHSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate
CID 67548859
tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate
CID 146158103
tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate
CID 114451383
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-(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-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
tert-butyl 3-(3-methylbutyl)-4-oxopiperidine-1-carboxylate
CID 114451438
tert-butyl 4-oxo-3-(3,3,3-trifluoropropyl)piperidine-1-carboxylate
CID 114451458
tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate
CID 121435468

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate (CID 86318470) is tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate is CO[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O.
What is the InChIKey of tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate?
The InChIKey is DXHPWDBZWRHQRX-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-5-8(13)9(7-12)15-4/h9H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate?
tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 86318470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).