8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C16H23N3O2 — CID 50967458

IUPAC8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCOc1ccc(CN2CCC3(CC2)CNC(=O)C3)cn1
InChIInChI=1S/C16H23N3O2/c1-2-21-15-4-3-13(10-17-15)11-19-7-5-16(6-8-19)9-14(20)18-12-16/h3-4,10H,2,5-9,11-12H2,1H3,(H,18,20)
InChIKeyVIAQICZNUYMSMF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.58
Rot. Bonds4

About 8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50967458) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50967458
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCOc1ccc(CN2CCC3(CC2)CNC(=O)C3)cn1
InChIInChI=1S/C16H23N3O2/c1-2-21-15-4-3-13(10-17-15)11-19-7-5-16(6-8-19)9-14(20)18-12-16/h3-4,10H,2,5-9,11-12H2,1H3,(H,18,20)
InChIKeyVIAQICZNUYMSMF-UHFFFAOYSA-N
XLogP1.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 50967458) is 8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is CCOc1ccc(CN2CCC3(CC2)CNC(=O)C3)cn1.
What is the InChIKey of 8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is VIAQICZNUYMSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-21-15-4-3-13(10-17-15)11-19-7-5-16(6-8-19)9-14(20)18-12-16/h3-4,10H,2,5-9,11-12H2,1H3,(H,18,20).
What are the key properties of 8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-ethoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50967458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).