tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate

C16H29NO4 — CID 10661893

IUPACtert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate
SMILESCCOC(=O)CC(C)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO4/c1-6-20-14(18)11-12(2)13-9-7-8-10-17(13)15(19)21-16(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyXBFCSCVBBJLLDZ-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.37
Rot. Bonds4

About tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate

tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate (PubChem CID 10661893) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate
PubChem CID10661893
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nametert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate
SMILESCCOC(=O)CC(C)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO4/c1-6-20-14(18)11-12(2)13-9-7-8-10-17(13)15(19)21-16(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyXBFCSCVBBJLLDZ-UHFFFAOYSA-N
XLogP3.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate (CID 10661893) is tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate is CCOC(=O)CC(C)C1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate?
The InChIKey is XBFCSCVBBJLLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-6-20-14(18)11-12(2)13-9-7-8-10-17(13)15(19)21-16(3,4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate?
tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 10661893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).