7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

C18H28N4O3 — CID 72838273

IUPAC7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)CCc3ccnn3C)C2)C1=O
InChIInChI=1S/C18H28N4O3/c1-20-15(6-9-19-20)4-5-16(23)22-11-8-18(14-22)7-3-10-21(17(18)24)12-13-25-2/h6,9H,3-5,7-8,10-14H2,1-2H3
InChIKeyUVVMBUIDWIHOOZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.84
Rot. Bonds6

About 7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72838273) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72838273
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)CCc3ccnn3C)C2)C1=O
InChIInChI=1S/C18H28N4O3/c1-20-15(6-9-19-20)4-5-16(23)22-11-8-18(14-22)7-3-10-21(17(18)24)12-13-25-2/h6,9H,3-5,7-8,10-14H2,1-2H3
InChIKeyUVVMBUIDWIHOOZ-UHFFFAOYSA-N
XLogP0.84
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72838273) is 7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(C(=O)CCc3ccnn3C)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is UVVMBUIDWIHOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-20-15(6-9-19-20)4-5-16(23)22-11-8-18(14-22)7-3-10-21(17(18)24)12-13-25-2/h6,9H,3-5,7-8,10-14H2,1-2H3.
What are the key properties of 7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 348.45 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-[3-(2-methylpyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72838273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).