2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

C17H25N3O2 — CID 131656169

IUPAC2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCCN(Cc3ccccn3)C2)C1=O
InChIInChI=1S/C17H25N3O2/c1-22-12-11-20-10-7-17(16(20)21)6-4-9-19(14-17)13-15-5-2-3-8-18-15/h2-3,5,8H,4,6-7,9-14H2,1H3
InChIKeyZGZMPKLMRXGKHE-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.54
Rot. Bonds5

About 2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one

2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131656169) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131656169
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCCN(Cc3ccccn3)C2)C1=O
InChIInChI=1S/C17H25N3O2/c1-22-12-11-20-10-7-17(16(20)21)6-4-9-19(14-17)13-15-5-2-3-8-18-15/h2-3,5,8H,4,6-7,9-14H2,1H3
InChIKeyZGZMPKLMRXGKHE-UHFFFAOYSA-N
XLogP1.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2-methoxyethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45190498
(5S)-2-(2-methoxyethyl)-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489875
(5R)-7-(2-methoxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97114044
(5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97395772
9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118746385
(5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97371992
2-[(2-chlorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45200677
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075103
7-[[2-(benzylamino)pyrimidin-5-yl]methyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176501882
(5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 136818945
(5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97133083

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131656169) is 2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is COCCN1CCC2(CCCN(Cc3ccccn3)C2)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is ZGZMPKLMRXGKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-22-12-11-20-10-7-17(16(20)21)6-4-9-19(14-17)13-15-5-2-3-8-18-15/h2-3,5,8H,4,6-7,9-14H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 303.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131656169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).