3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

C18H29N3O2 — CID 126941457

IUPAC3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2CCN(CC3(O)CCCC3)CC2)c(=O)c1C
InChIInChI=1S/C18H29N3O2/c1-14-15(2)19-13-21(17(14)22)11-16-5-9-20(10-6-16)12-18(23)7-3-4-8-18/h13,16,23H,3-12H2,1-2H3
InChIKeyHIMAEKKNOQHDFI-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.88
Rot. Bonds4

About 3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 126941457) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
PubChem CID126941457
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2CCN(CC3(O)CCCC3)CC2)c(=O)c1C
InChIInChI=1S/C18H29N3O2/c1-14-15(2)19-13-21(17(14)22)11-16-5-9-20(10-6-16)12-18(23)7-3-4-8-18/h13,16,23H,3-12H2,1-2H3
InChIKeyHIMAEKKNOQHDFI-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-Hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 84599864
3-({1-[(1-Hydroxycyclopentyl)methyl]piperidin-4-yl}methyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943743
6-(Difluoromethyl)-3-({1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944154
3-[(1-Hydroxycyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 75501759
3-({1-[(1-Hydroxycyclopentyl)methyl]piperidin-4-yl}methyl)-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940978
3-[(1-Cyclopentanecarbonylpiperidin-4-yl)methyl]-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 126941040
3-({1-[(1-Acetyl-3-hydroxyazepan-3-yl)methyl]piperidin-4-yl}methyl)-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 126941450
3-({1-[(1-Acetyl-3-hydroxypiperidin-3-yl)methyl]piperidin-4-yl}methyl)-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 126941452
3-({1-[(4-Hydroxyoxan-4-yl)methyl]piperidin-4-yl}methyl)-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 126941454
3-({1-[(1-Acetyl-3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl}methyl)-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 126941455
3-({1-[(1-Hydroxycyclobutyl)methyl]piperidin-4-yl}methyl)-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 126941458
3-{[1-(2-Hydroxycyclopentyl)piperidin-4-yl]methyl}-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 126941461

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (CID 126941457) is 3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is Cc1ncn(CC2CCN(CC3(O)CCCC3)CC2)c(=O)c1C.
What is the InChIKey of 3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is HIMAEKKNOQHDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-15(2)19-13-21(17(14)22)11-16-5-9-20(10-6-16)12-18(23)7-3-4-8-18/h13,16,23H,3-12H2,1-2H3.
What are the key properties of 3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 319.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 126941457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).