1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone

C17H30N2O3 — CID 110156309

IUPAC1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone
SMILESCOC1CCCOC12CCN(C1CCN(C(C)=O)CC1)CC2
InChIInChI=1S/C17H30N2O3/c1-14(20)18-9-5-15(6-10-18)19-11-7-17(8-12-19)16(21-2)4-3-13-22-17/h15-16H,3-13H2,1-2H3
InChIKeyGSFPLGWKMCHOLC-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.66
Rot. Bonds2

About 1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone

1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone (PubChem CID 110156309) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone
PubChem CID110156309
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone
SMILESCOC1CCCOC12CCN(C1CCN(C(C)=O)CC1)CC2
InChIInChI=1S/C17H30N2O3/c1-14(20)18-9-5-15(6-10-18)19-11-7-17(8-12-19)16(21-2)4-3-13-22-17/h15-16H,3-13H2,1-2H3
InChIKeyGSFPLGWKMCHOLC-UHFFFAOYSA-N
XLogP1.66
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone (CID 110156309) is 1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone is COC1CCCOC12CCN(C1CCN(C(C)=O)CC1)CC2.
What is the InChIKey of 1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone?
The InChIKey is GSFPLGWKMCHOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-14(20)18-9-5-15(6-10-18)19-11-7-17(8-12-19)16(21-2)4-3-13-22-17/h15-16H,3-13H2,1-2H3.
What are the key properties of 1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone?
1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone has a molecular weight of 310.44 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110156309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).