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

C11H19NO3 — CID 97007931

IUPACtert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate
SMILESC[C@@H]1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C11H19NO3/c1-8-5-6-12(7-9(8)13)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeySOJRRCWSZXYEQN-MRVPVSSYSA-N
MW213.28 g/mol
LogP1.83
Rot. Bonds

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

tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate (PubChem CID 97007931) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate
PubChem CID97007931
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate
SMILESC[C@@H]1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C11H19NO3/c1-8-5-6-12(7-9(8)13)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeySOJRRCWSZXYEQN-MRVPVSSYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-methyl-5-oxoazepane-1-carboxylate;hydrochloride
CID 133062275
tert-butyl 4-methyl-3-oxopiperidine-1-carboxylate;(1R)-1-phenylethanamine
CID 90781109
tert-butyl 4-cyano-3-oxopiperidine-1-carboxylate
CID 71695402
tert-butyl 3-oxo-4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 18456551
tert-butyl 4-(2-methoxy-2-oxoacetyl)-3-oxopiperidine-1-carboxylate
CID 46941587
tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate
CID 71567400
tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate
CID 83488576
tert-butyl 4-cyano-3-oxoazepane-1-carboxylate
CID 166712780
CID 159387786
CID 159387786
tert-butyl 4-(2-ethoxy-2-oxoacetyl)-3-oxopiperidine-1-carboxylate
CID 138110908
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (4R)-4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate
CID 95566700

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate (CID 97007931) is tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate is C[C@@H]1CCN(C(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate?
The InChIKey is SOJRRCWSZXYEQN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-5-6-12(7-9(8)13)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate?
tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate is sourced from PubChem (CID 97007931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).