3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C15H23N3O3 — CID 126945054

IUPAC3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1ccncn1CC1CCN(CC2(O)CCOC2)CC1
InChIInChI=1S/C15H23N3O3/c19-14-1-5-16-12-18(14)9-13-2-6-17(7-3-13)10-15(20)4-8-21-11-15/h1,5,12-13,20H,2-4,6-11H2
InChIKeyPCSXOFGGNXDHBD-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.11
Rot. Bonds4

About 3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126945054) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126945054
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1ccncn1CC1CCN(CC2(O)CCOC2)CC1
InChIInChI=1S/C15H23N3O3/c19-14-1-5-16-12-18(14)9-13-2-6-17(7-3-13)10-15(20)4-8-21-11-15/h1,5,12-13,20H,2-4,6-11H2
InChIKeyPCSXOFGGNXDHBD-UHFFFAOYSA-N
XLogP0.11
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941931
3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943749
3-[[1-[(6-hydroxy-1,4-dioxepan-6-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943304
3-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943739
2-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863077
2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864206
3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944997
3-(cyclohexylmethyl)pyrimidin-4-one
CID 115696955
3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944705
2-[[1-[(6-hydroxy-1,4-dioxepan-6-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126863076
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

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126945054) is 3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is O=c1ccncn1CC1CCN(CC2(O)CCOC2)CC1.
What is the InChIKey of 3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is PCSXOFGGNXDHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c19-14-1-5-16-12-18(14)9-13-2-6-17(7-3-13)10-15(20)4-8-21-11-15/h1,5,12-13,20H,2-4,6-11H2.
What are the key properties of 3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 293.37 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126945054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).