tert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate

C17H27NO4 — CID 103916363

IUPACtert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate
SMILESCCC1(OCc2ccoc2)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H27NO4/c1-5-17(21-12-14-7-10-20-11-14)8-6-9-18(13-17)15(19)22-16(2,3)4/h7,10-11H,5-6,8-9,12-13H2,1-4H3
InChIKeyXBPZASZLWWHFOT-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.98
Rot. Bonds4

About tert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate

tert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate (PubChem CID 103916363) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate
PubChem CID103916363
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Nametert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate
SMILESCCC1(OCc2ccoc2)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H27NO4/c1-5-17(21-12-14-7-10-20-11-14)8-6-9-18(13-17)15(19)22-16(2,3)4/h7,10-11H,5-6,8-9,12-13H2,1-4H3
InChIKeyXBPZASZLWWHFOT-UHFFFAOYSA-N
XLogP3.98
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-ethyl-3-[(3-methylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 103916082
tert-butyl 3-(2,3-dichloroprop-2-enoxy)-3-ethylpiperidine-1-carboxylate
CID 83205696
tert-butyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-ethylpyrrolidine-1-carboxylate
CID 103916084
tert-butyl 3-ethyl-3-(1,3-thiazol-4-ylmethoxy)pyrrolidine-1-carboxylate
CID 83205985
tert-butyl 3-[(2-cyanophenyl)methoxy]-3-ethylpyrrolidine-1-carboxylate
CID 113351233
tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 103916132
tert-butyl 3-ethyl-3-[(1-ethylimidazol-2-yl)methoxy]pyrrolidine-1-carboxylate
CID 106938800
tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate
CID 103916056
tert-butyl 3-ethyl-3-(2-methylprop-2-enoxy)pyrrolidine-1-carboxylate
CID 83206245
tert-butyl 3-(2,2-diethoxyethoxy)-3-ethylpyrrolidine-1-carboxylate
CID 103916089
tert-butyl 3-(iodomethyl)-3-(2-methoxyethoxy)piperidine-1-carboxylate
CID 114773147
tert-butyl 3-but-3-ynoxy-3-ethylpyrrolidine-1-carboxylate
CID 83207573

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate (CID 103916363) is tert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate is CCC1(OCc2ccoc2)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate?
The InChIKey is XBPZASZLWWHFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-5-17(21-12-14-7-10-20-11-14)8-6-9-18(13-17)15(19)22-16(2,3)4/h7,10-11H,5-6,8-9,12-13H2,1-4H3.
What are the key properties of tert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate?
tert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethyl-3-(furan-3-ylmethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 103916363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).