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

C15H23N3O2 — CID 126945049

IUPAC3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1ccncn1CC1CCN(CC2(O)CCC2)CC1
InChIInChI=1S/C15H23N3O2/c19-14-2-7-16-12-18(14)10-13-3-8-17(9-4-13)11-15(20)5-1-6-15/h2,7,12-13,20H,1,3-6,8-11H2
InChIKeyFLVUUGVLUHRVGY-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.87
Rot. Bonds4

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

3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126945049) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126945049
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1ccncn1CC1CCN(CC2(O)CCC2)CC1
InChIInChI=1S/C15H23N3O2/c19-14-2-7-16-12-18(14)10-13-3-8-17(9-4-13)11-15(20)5-1-6-15/h2,7,12-13,20H,1,3-6,8-11H2
InChIKeyFLVUUGVLUHRVGY-UHFFFAOYSA-N
XLogP0.87
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126945049) is 3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is O=c1ccncn1CC1CCN(CC2(O)CCC2)CC1.
What is the InChIKey of 3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is FLVUUGVLUHRVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-14-2-7-16-12-18(14)10-13-3-8-17(9-4-13)11-15(20)5-1-6-15/h2,7,12-13,20H,1,3-6,8-11H2.
What are the key properties of 3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 277.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126945049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).