7-(2-methoxyethyl)-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

C16H25N5O3 — CID 72885864

IUPAC7-(2-methoxyethyl)-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)CCn3cncn3)C2)C1=O
InChIInChI=1S/C16H25N5O3/c1-24-10-9-19-6-2-4-16(15(19)23)5-8-20(11-16)14(22)3-7-21-13-17-12-18-21/h12-13H,2-11H2,1H3
InChIKeySWWSKMGXIQEXMR-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.16
Rot. Bonds6

About 7-(2-methoxyethyl)-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72885864) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72885864
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name7-(2-methoxyethyl)-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)CCn3cncn3)C2)C1=O
InChIInChI=1S/C16H25N5O3/c1-24-10-9-19-6-2-4-16(15(19)23)5-8-20(11-16)14(22)3-7-21-13-17-12-18-21/h12-13H,2-11H2,1H3
InChIKeySWWSKMGXIQEXMR-UHFFFAOYSA-N
XLogP0.16
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.16
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-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72885864) is 7-(2-methoxyethyl)-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(C(=O)CCn3cncn3)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SWWSKMGXIQEXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-24-10-9-19-6-2-4-16(15(19)23)5-8-20(11-16)14(22)3-7-21-13-17-12-18-21/h12-13H,2-11H2,1H3.
What are the key properties of 7-(2-methoxyethyl)-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 335.41 g/mol, XLogP of 0.16, 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-[3-(1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72885864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).