2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C18H24N2O5 — CID 72897324

IUPAC2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1coc(C(=O)N2CCC3(CCCN(C(C)C)C3=O)C2)cc1=O
InChIInChI=1S/C18H24N2O5/c1-12(2)20-7-4-5-18(17(20)23)6-8-19(11-18)16(22)14-9-13(21)15(24-3)10-25-14/h9-10,12H,4-8,11H2,1-3H3
InChIKeyIMTPQNFINFRZIH-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.51
Rot. Bonds3

About 2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72897324) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72897324
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1coc(C(=O)N2CCC3(CCCN(C(C)C)C3=O)C2)cc1=O
InChIInChI=1S/C18H24N2O5/c1-12(2)20-7-4-5-18(17(20)23)6-8-19(11-18)16(22)14-9-13(21)15(24-3)10-25-14/h9-10,12H,4-8,11H2,1-3H3
InChIKeyIMTPQNFINFRZIH-UHFFFAOYSA-N
XLogP1.51
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72897324) is 2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is COc1coc(C(=O)N2CCC3(CCCN(C(C)C)C3=O)C2)cc1=O.
What is the InChIKey of 2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is IMTPQNFINFRZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12(2)20-7-4-5-18(17(20)23)6-8-19(11-18)16(22)14-9-13(21)15(24-3)10-25-14/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 348.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-4-oxopyran-2-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72897324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).