3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

C18H26N2O3 — CID 74225351

IUPAC3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCCCC2)CN1C1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C18H26N2O3/c21-17-20(14-18(23-17)7-2-1-3-8-18)16-4-9-19(10-5-16)12-15-6-11-22-13-15/h6,11,13,16H,1-5,7-10,12,14H2
InChIKeyRPKIEHCIRDOYIQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.40
Rot. Bonds3

About 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one

3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 74225351) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID74225351
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCCCC2)CN1C1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C18H26N2O3/c21-17-20(14-18(23-17)7-2-1-3-8-18)16-4-9-19(10-5-16)12-15-6-11-22-13-15/h6,11,13,16H,1-5,7-10,12,14H2
InChIKeyRPKIEHCIRDOYIQ-UHFFFAOYSA-N
XLogP3.40
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 74225351) is 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is O=C1OC2(CCCCC2)CN1C1CCN(Cc2ccoc2)CC1.
What is the InChIKey of 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is RPKIEHCIRDOYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-17-20(14-18(23-17)7-2-1-3-8-18)16-4-9-19(10-5-16)12-15-6-11-22-13-15/h6,11,13,16H,1-5,7-10,12,14H2.
What are the key properties of 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 318.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 74225351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).