2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C18H29N3O4 — CID 72888541

IUPAC2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(N1CCOCC1)N1CCC2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C18H29N3O4/c22-16-18(4-1-6-21(16)15-2-10-24-11-3-15)5-7-20(14-18)17(23)19-8-12-25-13-9-19/h15H,1-14H2
InChIKeySSJINTKOSJLZRS-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.93
Rot. Bonds1

About 2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72888541) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72888541
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(N1CCOCC1)N1CCC2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C18H29N3O4/c22-16-18(4-1-6-21(16)15-2-10-24-11-3-15)5-7-20(14-18)17(23)19-8-12-25-13-9-19/h15H,1-14H2
InChIKeySSJINTKOSJLZRS-UHFFFAOYSA-N
XLogP0.93
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72888541) is 2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is O=C(N1CCOCC1)N1CCC2(CCCN(C3CCOCC3)C2=O)C1.
What is the InChIKey of 2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SSJINTKOSJLZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c22-16-18(4-1-6-21(16)15-2-10-24-11-3-15)5-7-20(14-18)17(23)19-8-12-25-13-9-19/h15H,1-14H2.
What are the key properties of 2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 351.45 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72888541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).