3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one

C15H23N3O2 — CID 126944997

IUPAC3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1ccncn1CC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C15H23N3O2/c19-15-3-6-16-12-18(15)10-13-4-7-17(8-5-13)11-14-2-1-9-20-14/h3,6,12-14H,1-2,4-5,7-11H2
InChIKeyLZFJMQWKEPMZFG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.13
Rot. Bonds4

About 3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one

3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944997) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944997
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1ccncn1CC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C15H23N3O2/c19-15-3-6-16-12-18(15)10-13-4-7-17(8-5-13)11-14-2-1-9-20-14/h3,6,12-14H,1-2,4-5,7-11H2
InChIKeyLZFJMQWKEPMZFG-UHFFFAOYSA-N
XLogP1.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126944737
5-methyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940921
3-(cyclohexylmethyl)pyrimidin-4-one
CID 115696955
6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941867
3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944822
3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944971
3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945054
3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944705
3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944789
3-[[1-[(1-acetylpiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944972
3-[[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944940
3-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945071

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944997) is 3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=c1ccncn1CC1CCN(CC2CCCO2)CC1.
What is the InChIKey of 3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is LZFJMQWKEPMZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-15-3-6-16-12-18(15)10-13-4-7-17(8-5-13)11-14-2-1-9-20-14/h3,6,12-14H,1-2,4-5,7-11H2.
What are the key properties of 3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 277.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).