9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one

C15H20N2O2 — CID 56866346

IUPAC9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESO=C1CCC2(CCCO2)CCN1Cc1ccncc1
InChIInChI=1S/C15H20N2O2/c18-14-2-6-15(5-1-11-19-15)7-10-17(14)12-13-3-8-16-9-4-13/h3-4,8-9H,1-2,5-7,10-12H2
InChIKeyWLUDZHFBWCXRSX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.14
Rot. Bonds2

About 9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one

9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 56866346) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID56866346
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESO=C1CCC2(CCCO2)CCN1Cc1ccncc1
InChIInChI=1S/C15H20N2O2/c18-14-2-6-15(5-1-11-19-15)7-10-17(14)12-13-3-8-16-9-4-13/h3-4,8-9H,1-2,5-7,10-12H2
InChIKeyWLUDZHFBWCXRSX-UHFFFAOYSA-N
XLogP2.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Fluorophenyl)-1-[3-(methoxymethyl)-4-(pyridin-4-YL)pyrrolidin-1-YL]ethan-1-one
CID 110202848
2-[(3aR,7S,7aS)-2-(pyridin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-pyrrolidin-1-ylethanone
CID 97379930
2-(4-Fluorophenyl)-1-[3-(methoxymethyl)-4-(pyridin-4-YL)pyrrolidin-1-YL]ethan-1-one
CID 110202869
1-(3-Methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone
CID 118744631
1-(3-Phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone
CID 118744657
N-propan-2-yl-2-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
CID 118745588
(7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one
CID 162934668
[1-Cyclopentanecarbonyl-4-(pyridin-4-YL)pyrrolidin-3-YL]methanol
CID 110202646
3-Methyl-8-[3-(4-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
CID 56894241
N,N-diethyl-3-[(2R,5S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-2-yl]propanamide
CID 60160512
N,N-diethyl-3-[(2R,5S)-9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-2-yl]propanamide
CID 60160513
N,N-diethyl-3-[(2S,5S)-9-(pyridin-3-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-2-yl]propanamide
CID 60160523

Frequently Asked Questions

What is the IUPAC name of 9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of 9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 56866346) is 9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for 9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for 9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one is O=C1CCC2(CCCO2)CCN1Cc1ccncc1.
What is the InChIKey of 9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is WLUDZHFBWCXRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14-2-6-15(5-1-11-19-15)7-10-17(14)12-13-3-8-16-9-4-13/h3-4,8-9H,1-2,5-7,10-12H2.
What are the key properties of 9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one?
9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 260.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(pyridin-4-ylmethyl)-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 56866346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).