tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate

C16H29NO4 — CID 68901706

IUPACtert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate
SMILESCOC(=O)C(C(C)C)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO4/c1-11(2)13(14(18)20-6)12-9-7-8-10-17(12)15(19)21-16(3,4)5/h11-13H,7-10H2,1-6H3
InChIKeyQUEXBDXPJLBVQS-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.22
Rot. Bonds3

About tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate

tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate (PubChem CID 68901706) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate
PubChem CID68901706
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nametert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate
SMILESCOC(=O)C(C(C)C)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO4/c1-11(2)13(14(18)20-6)12-9-7-8-10-17(12)15(19)21-16(3,4)5/h11-13H,7-10H2,1-6H3
InChIKeyQUEXBDXPJLBVQS-UHFFFAOYSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}cyclopentane-1-carboxylic acid
CID 138039617
5-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)pentanoic acid
CID 10731873
1-{1-[(Tert-butoxy)carbonyl]piperidin-2-yl}cyclopropane-1-carboxylic acid
CID 83903171
Methyl N-boc-2-piperidineacetate
CID 11572435
(S)-tert-Butyl 2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 10264438
(R)-tert-Butyl 2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 11357337
Diethyl 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]ethyl]propanedioate
CID 124121387
tert-butyl (2S)-6-ethyl-4,4-difluoro-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate
CID 90328365
tert-Butyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 14105087
tert-butyl (2R,4aS,5R,8aR)-2-(2-methoxy-2-oxoethyl)-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate
CID 134941198
Tert-butyl 4-(5-methoxy-3,3-dimethyl-5-oxopentyl)piperidine-1-carboxylate
CID 134979291
tert-butyl (2S)-2-(2-butoxy-2-oxoethyl)piperidine-1-carboxylate
CID 135070385

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate (CID 68901706) is tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate is COC(=O)C(C(C)C)C1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate?
The InChIKey is QUEXBDXPJLBVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-11(2)13(14(18)20-6)12-9-7-8-10-17(12)15(19)21-16(3,4)5/h11-13H,7-10H2,1-6H3.
What are the key properties of tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate?
tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 68901706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).