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

C20H26N2O5 — CID 72879436

IUPAC2-(6-methyl-4-oxopyran-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCCN(C4CCOCC4)C3=O)C2)o1
InChIInChI=1S/C20H26N2O5/c1-14-11-16(23)12-17(27-14)18(24)21-8-6-20(13-21)5-2-7-22(19(20)25)15-3-9-26-10-4-15/h11-12,15H,2-10,13H2,1H3
InChIKeyOXFFKCXBBYKRJL-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.58
Rot. Bonds2

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

2-(6-methyl-4-oxopyran-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72879436) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(6-methyl-4-oxopyran-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(6-methyl-4-oxopyran-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72879436
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name2-(6-methyl-4-oxopyran-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCCN(C4CCOCC4)C3=O)C2)o1
InChIInChI=1S/C20H26N2O5/c1-14-11-16(23)12-17(27-14)18(24)21-8-6-20(13-21)5-2-7-22(19(20)25)15-3-9-26-10-4-15/h11-12,15H,2-10,13H2,1H3
InChIKeyOXFFKCXBBYKRJL-UHFFFAOYSA-N
XLogP1.58
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxopyran-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(6-methyl-4-oxopyran-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72879436) is 2-(6-methyl-4-oxopyran-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(6-methyl-4-oxopyran-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(6-methyl-4-oxopyran-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(=O)cc(C(=O)N2CCC3(CCCN(C4CCOCC4)C3=O)C2)o1.
What is the InChIKey of 2-(6-methyl-4-oxopyran-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is OXFFKCXBBYKRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-14-11-16(23)12-17(27-14)18(24)21-8-6-20(13-21)5-2-7-22(19(20)25)15-3-9-26-10-4-15/h11-12,15H,2-10,13H2,1H3.
What are the key properties of 2-(6-methyl-4-oxopyran-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-(6-methyl-4-oxopyran-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.44 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxopyran-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72879436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).