2-methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone

C17H25N3O2 — CID 3234810

IUPAC2-methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCOCC(=O)N1CCC2(CCCN(c3ccncc3)C2)CC1
InChIInChI=1S/C17H25N3O2/c1-22-13-16(21)19-11-6-17(7-12-19)5-2-10-20(14-17)15-3-8-18-9-4-15/h3-4,8-9H,2,5-7,10-14H2,1H3
InChIKeyXFGUBQIZYPJUOL-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.94
Rot. Bonds3

About 2-methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone

2-methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 3234810) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID3234810
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCOCC(=O)N1CCC2(CCCN(c3ccncc3)C2)CC1
InChIInChI=1S/C17H25N3O2/c1-22-13-16(21)19-11-6-17(7-12-19)5-2-10-20(14-17)15-3-8-18-9-4-15/h3-4,8-9H,2,5-7,10-14H2,1H3
InChIKeyXFGUBQIZYPJUOL-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 3234810) is 2-methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone is COCC(=O)N1CCC2(CCCN(c3ccncc3)C2)CC1.
What is the InChIKey of 2-methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is XFGUBQIZYPJUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-22-13-16(21)19-11-6-17(7-12-19)5-2-10-20(14-17)15-3-8-18-9-4-15/h3-4,8-9H,2,5-7,10-14H2,1H3.
What are the key properties of 2-methoxy-1-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
2-methoxy-1-(2-pyridin-4-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-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 3234810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).