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

C18H26N2O5 — CID 72939711

IUPAC7-(2-methoxyethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(Cc3cc(=O)c(OC)co3)C2)C1=O
InChIInChI=1S/C18H26N2O5/c1-23-9-8-20-6-3-4-18(17(20)22)5-7-19(13-18)11-14-10-15(21)16(24-2)12-25-14/h10,12H,3-9,11,13H2,1-2H3
InChIKeyYRNPCERTWXIZDM-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.11
Rot. Bonds6

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

7-(2-methoxyethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72939711) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72939711
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name7-(2-methoxyethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(Cc3cc(=O)c(OC)co3)C2)C1=O
InChIInChI=1S/C18H26N2O5/c1-23-9-8-20-6-3-4-18(17(20)22)5-7-19(13-18)11-14-10-15(21)16(24-2)12-25-14/h10,12H,3-9,11,13H2,1-2H3
InChIKeyYRNPCERTWXIZDM-UHFFFAOYSA-N
XLogP1.11
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72939711) is 7-(2-methoxyethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(Cc3cc(=O)c(OC)co3)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YRNPCERTWXIZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-23-9-8-20-6-3-4-18(17(20)22)5-7-19(13-18)11-14-10-15(21)16(24-2)12-25-14/h10,12H,3-9,11,13H2,1-2H3.
What are the key properties of 7-(2-methoxyethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 350.42 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72939711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).