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

C16H23N3O3 — CID 97450952

IUPAC2-methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2
InChIInChI=1S/C16H23N3O3/c1-21-12-15(20)18-8-5-16(6-9-18)13-19(10-11-22-16)14-4-2-3-7-17-14/h2-4,7H,5-6,8-13H2,1H3
InChIKeyZTLDLOYCIJLFLI-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.93
Rot. Bonds3

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

2-methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 97450952) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID97450952
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2
InChIInChI=1S/C16H23N3O3/c1-21-12-15(20)18-8-5-16(6-9-18)13-19(10-11-22-16)14-4-2-3-7-17-14/h2-4,7H,5-6,8-13H2,1H3
InChIKeyZTLDLOYCIJLFLI-UHFFFAOYSA-N
XLogP0.93
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 2-methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 97450952) is 2-methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is COCC(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2.
What is the InChIKey of 2-methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is ZTLDLOYCIJLFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-21-12-15(20)18-8-5-16(6-9-18)13-19(10-11-22-16)14-4-2-3-7-17-14/h2-4,7H,5-6,8-13H2,1H3.
What are the key properties of 2-methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
2-methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 305.38 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 97450952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).