3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C16H23N3O2 — CID 103483562

IUPAC3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CC1CCC3(CCCC3)O1)CNCC2
InChIInChI=1S/C16H23N3O2/c20-15-13-4-8-17-9-14(13)18-11-19(15)10-12-3-7-16(21-12)5-1-2-6-16/h11-12,17H,1-10H2
InChIKeyFNPHHVHIEIWBFE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.38
Rot. Bonds2

About 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483562) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483562
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CC1CCC3(CCCC3)O1)CNCC2
InChIInChI=1S/C16H23N3O2/c20-15-13-4-8-17-9-14(13)18-11-19(15)10-12-3-7-16(21-12)5-1-2-6-16/h11-12,17H,1-10H2
InChIKeyFNPHHVHIEIWBFE-UHFFFAOYSA-N
XLogP1.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 164636026
3-(Oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483507
3-[3-(Oxolan-2-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483858
3-[(5,5-Dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483921
3-[(5-Methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 113820932
3-(1-oxaspiro[4.5]decan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 128011901

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483562) is 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1c2c(ncn1CC1CCC3(CCCC3)O1)CNCC2.
What is the InChIKey of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is FNPHHVHIEIWBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15-13-4-8-17-9-14(13)18-11-19(15)10-12-3-7-16(21-12)5-1-2-6-16/h11-12,17H,1-10H2.
What are the key properties of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).