2-methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone

C17H25N3O2 — CID 3232770

IUPAC2-methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
SMILESCOCC(=O)N1CCC2(CC1)CCN(c1ccccn1)CC2
InChIInChI=1S/C17H25N3O2/c1-22-14-16(21)20-12-7-17(8-13-20)5-10-19(11-6-17)15-4-2-3-9-18-15/h2-4,9H,5-8,10-14H2,1H3
InChIKeyUOVOZSSTVPUKPN-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.94
Rot. Bonds3

About 2-methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone

2-methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone (PubChem CID 3232770) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
PubChem CID3232770
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
SMILESCOCC(=O)N1CCC2(CC1)CCN(c1ccccn1)CC2
InChIInChI=1S/C17H25N3O2/c1-22-14-16(21)20-12-7-17(8-13-20)5-10-19(11-6-17)15-4-2-3-9-18-15/h2-4,9H,5-8,10-14H2,1H3
InChIKeyUOVOZSSTVPUKPN-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-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The IUPAC name of 2-methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone (CID 3232770) is 2-methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone is COCC(=O)N1CCC2(CC1)CCN(c1ccccn1)CC2.
What is the InChIKey of 2-methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The InChIKey is UOVOZSSTVPUKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-22-14-16(21)20-12-7-17(8-13-20)5-10-19(11-6-17)15-4-2-3-9-18-15/h2-4,9H,5-8,10-14H2,1H3.
What are the key properties of 2-methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
2-methoxy-1-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-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-(9-pyridin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone is sourced from PubChem (CID 3232770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).