methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate

C15H21NO5 — CID 112726879

IUPACmethyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N2CCC3(CC2)OCCO3)o1
InChIInChI=1S/C15H21NO5/c1-11(12-3-4-13(21-12)14(17)18-2)16-7-5-15(6-8-16)19-9-10-20-15/h3-4,11H,5-10H2,1-2H3
InChIKeyIUDYJRPRRGXLDK-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.97
Rot. Bonds3

About methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate

methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate (PubChem CID 112726879) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate
PubChem CID112726879
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Namemethyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N2CCC3(CC2)OCCO3)o1
InChIInChI=1S/C15H21NO5/c1-11(12-3-4-13(21-12)14(17)18-2)16-7-5-15(6-8-16)19-9-10-20-15/h3-4,11H,5-10H2,1-2H3
InChIKeyIUDYJRPRRGXLDK-UHFFFAOYSA-N
XLogP1.97
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[1-(4,4-dimethylazepan-1-yl)ethyl]furan-2-carboxylate
CID 79006384
methyl 5-[1-(4-hydroxy-4-methylazepan-1-yl)ethyl]furan-2-carboxylate
CID 107405158
methyl 5-(1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)furan-2-carboxylate
CID 146086787
methyl 5-[1-(2-methyl-1,4-oxazepan-4-yl)ethyl]furan-2-carboxylate
CID 78920571
methyl 5-[1-(4-but-3-ynylpiperazin-1-yl)ethyl]furan-2-carboxylate
CID 75445710
methyl 5-[(1R)-1-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]ethyl]furan-2-carboxylate
CID 97333304
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[(1R)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate
CID 51939364
methyl 5-[(1R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate
CID 33180574
methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate
CID 79084701
methyl 5-[1-(2-methyl-3,5-dioxopiperazin-1-yl)ethyl]furan-2-carboxylate
CID 79090647
[(1S)-1-(5-methoxycarbonylfuran-2-yl)ethyl]-trimethylazanium
CID 919267

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate (CID 112726879) is methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)N2CCC3(CC2)OCCO3)o1.
What is the InChIKey of methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate?
The InChIKey is IUDYJRPRRGXLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-11(12-3-4-13(21-12)14(17)18-2)16-7-5-15(6-8-16)19-9-10-20-15/h3-4,11H,5-10H2,1-2H3.
What are the key properties of methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate?
methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]furan-2-carboxylate is sourced from PubChem (CID 112726879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).