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

C18H24N2O5 — CID 72853412

IUPAC7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3cc(=O)cc(C)o3)C2)C1=O
InChIInChI=1S/C18H24N2O5/c1-13-10-14(21)11-15(25-13)16(22)20-7-5-18(12-20)4-3-6-19(17(18)23)8-9-24-2/h10-11H,3-9,12H2,1-2H3
InChIKeyCRJHWWKCELEAOH-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.05
Rot. Bonds4

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

7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72853412) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72853412
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3cc(=O)cc(C)o3)C2)C1=O
InChIInChI=1S/C18H24N2O5/c1-13-10-14(21)11-15(25-13)16(22)20-7-5-18(12-20)4-3-6-19(17(18)23)8-9-24-2/h10-11H,3-9,12H2,1-2H3
InChIKeyCRJHWWKCELEAOH-UHFFFAOYSA-N
XLogP1.05
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72853412) is 7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(C(=O)c3cc(=O)cc(C)o3)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CRJHWWKCELEAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-13-10-14(21)11-15(25-13)16(22)20-7-5-18(12-20)4-3-6-19(17(18)23)8-9-24-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 348.40 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72853412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).