1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one

C17H28N2O4 — CID 24712720

IUPAC1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one
SMILESCCC(=O)N1C(C(=O)N2CCOCC2)COC12CCC(C)CC2
InChIInChI=1S/C17H28N2O4/c1-3-15(20)19-14(16(21)18-8-10-22-11-9-18)12-23-17(19)6-4-13(2)5-7-17/h13-14H,3-12H2,1-2H3
InChIKeyZTKKEVNPTSFSPV-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.39
Rot. Bonds2

About 1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one

1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one (PubChem CID 24712720) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one
PubChem CID24712720
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one
SMILESCCC(=O)N1C(C(=O)N2CCOCC2)COC12CCC(C)CC2
InChIInChI=1S/C17H28N2O4/c1-3-15(20)19-14(16(21)18-8-10-22-11-9-18)12-23-17(19)6-4-13(2)5-7-17/h13-14H,3-12H2,1-2H3
InChIKeyZTKKEVNPTSFSPV-UHFFFAOYSA-N
XLogP1.39
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one?
The IUPAC name of 1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one (CID 24712720) is 1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one.
What is the SMILES notation for 1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one?
The canonical SMILES for 1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one is CCC(=O)N1C(C(=O)N2CCOCC2)COC12CCC(C)CC2.
What is the InChIKey of 1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one?
The InChIKey is ZTKKEVNPTSFSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-3-15(20)19-14(16(21)18-8-10-22-11-9-18)12-23-17(19)6-4-13(2)5-7-17/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one?
1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one has a molecular weight of 324.42 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-methyl-3-(morpholine-4-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]propan-1-one is sourced from PubChem (CID 24712720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).