2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone

C17H25N3O2 — CID 131651444

IUPAC2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC(=O)N1CCC2(CCCN(Cc3ccccn3)C2)C1
InChIInChI=1S/C17H25N3O2/c1-22-12-16(21)20-10-7-17(14-20)6-4-9-19(13-17)11-15-5-2-3-8-18-15/h2-3,5,8H,4,6-7,9-14H2,1H3
InChIKeyGMULQVDQODBKIN-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.54
Rot. Bonds4

About 2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone

2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 131651444) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID131651444
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC(=O)N1CCC2(CCCN(Cc3ccccn3)C2)C1
InChIInChI=1S/C17H25N3O2/c1-22-12-16(21)20-10-7-17(14-20)6-4-9-19(13-17)11-15-5-2-3-8-18-15/h2-3,5,8H,4,6-7,9-14H2,1H3
InChIKeyGMULQVDQODBKIN-UHFFFAOYSA-N
XLogP1.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone with MolForge

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Related Compounds

pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
2-methoxy-1-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone;2,2,2-trifluoroacetic acid
CID 171672878
3,3,3-trifluoro-1-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 97450451
oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 133144937
morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450463
1-[(5S)-9-[(3-ethenylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-methoxyethanone
CID 95211406
[(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 97370418
1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
CID 95221644
[(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450456
9-(2-phenoxyethyl)-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155827464

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone (CID 131651444) is 2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone is COCC(=O)N1CCC2(CCCN(Cc3ccccn3)C2)C1.
What is the InChIKey of 2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is GMULQVDQODBKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-22-12-16(21)20-10-7-17(14-20)6-4-9-19(13-17)11-15-5-2-3-8-18-15/h2-3,5,8H,4,6-7,9-14H2,1H3.
What are the key properties of 2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 303.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 131651444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).