2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone

C17H25N3O2 — CID 3233036

IUPAC2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCOCC(=O)N1CCC2(CCCN(c3ccccn3)C2)CC1
InChIInChI=1S/C17H25N3O2/c1-22-13-16(21)19-11-7-17(8-12-19)6-4-10-20(14-17)15-5-2-3-9-18-15/h2-3,5,9H,4,6-8,10-14H2,1H3
InChIKeyPDLGGYHMWLYJLL-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.94
Rot. Bonds3

About 2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone

2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 3233036) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID3233036
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCOCC(=O)N1CCC2(CCCN(c3ccccn3)C2)CC1
InChIInChI=1S/C17H25N3O2/c1-22-13-16(21)19-11-7-17(8-12-19)6-4-10-20(14-17)15-5-2-3-9-18-15/h2-3,5,9H,4,6-8,10-14H2,1H3
InChIKeyPDLGGYHMWLYJLL-UHFFFAOYSA-N
XLogP1.94
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-{4-[4-(3-Chloro-pyridin-2-yl)-piperazin-1-yl]-butyl}-morpholine-3,5-dione
CID 13771037
4-{4-[4-(3-Phenyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-morpholine-3,5-dione
CID 14371235
2,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)butanamide
CID 24884489
N-(5-ethyl-4-(morpholinomethyl)pyridin-2-yl)-2,2-dimethylbutanamide
CID 24952500
4,4-Dimethyl-1-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione
CID 44276260
N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)pivalamide
CID 45487771
2,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)pentanamide
CID 45487780
1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)cyclopropanecarboxamide
CID 45487781
1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)cyclobutanecarboxamide
CID 45487782
Tert-butyl 4-(1-(pyridin-2-yl)piperidin-4-yl)piperidine-1-carboxylate
CID 54587812
2-Methyl-9-(2-phenylethyl)-4-[3-(trifluoromethyl)pyridin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562402
(2R)-9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567531

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 3233036) is 2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone is COCC(=O)N1CCC2(CCCN(c3ccccn3)C2)CC1.
What is the InChIKey of 2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is PDLGGYHMWLYJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-22-13-16(21)19-11-7-17(8-12-19)6-4-10-20(14-17)15-5-2-3-9-18-15/h2-3,5,9H,4,6-8,10-14H2,1H3.
What are the key properties of 2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 303.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 3233036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).