8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C17H23N3O3 — CID 97370307

IUPAC8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCC(=O)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O
InChIInChI=1S/C17H23N3O3/c1-23-13-15(21)19-9-5-17(6-10-19)7-11-20(16(17)22)12-14-4-2-3-8-18-14/h2-4,8H,5-7,9-13H2,1H3
InChIKeyPEVGVBRYXZXIQY-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.07
Rot. Bonds4

About 8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370307) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370307
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCC(=O)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O
InChIInChI=1S/C17H23N3O3/c1-23-13-15(21)19-9-5-17(6-10-19)7-11-20(16(17)22)12-14-4-2-3-8-18-14/h2-4,8H,5-7,9-13H2,1H3
InChIKeyPEVGVBRYXZXIQY-UHFFFAOYSA-N
XLogP1.07
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97370307) is 8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is COCC(=O)N1CCC2(CC1)CCN(Cc1ccccn1)C2=O.
What is the InChIKey of 8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is PEVGVBRYXZXIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-13-15(21)19-9-5-17(6-10-19)7-11-20(16(17)22)12-14-4-2-3-8-18-14/h2-4,8H,5-7,9-13H2,1H3.
What are the key properties of 8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 317.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).