3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

C16H22F3N3O2 — CID 126943747

IUPAC3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)ncn1CC1CCN(C2CCCC2O)CC1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)14-8-15(24)22(10-20-14)9-11-4-6-21(7-5-11)12-2-1-3-13(12)23/h8,10-13,23H,1-7,9H2
InChIKeyKUVDBCBONAXIDF-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.89
Rot. Bonds3

About 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126943747) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126943747
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)ncn1CC1CCN(C2CCCC2O)CC1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)14-8-15(24)22(10-20-14)9-11-4-6-21(7-5-11)12-2-1-3-13(12)23/h8,10-13,23H,1-7,9H2
InChIKeyKUVDBCBONAXIDF-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Difluoromethyl)-3-(2-hydroxycyclopentyl)-3,4-dihydropyrimidin-4-one
CID 126857693
3-({1-[(Oxolan-2-yl)methyl]piperidin-4-yl}methyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943690
3-{[1-(2-Hydroxycyclobutyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943734
3-({1-[(1-Hydroxycyclopentyl)methyl]piperidin-4-yl}methyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943743
3-{[1-(2-Hydroxycyclohexyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943746
6-(Difluoromethyl)-3-({1-[(oxolan-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944103
6-(Difluoromethyl)-3-{[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944146
6-(Difluoromethyl)-3-({1-[(1-hydroxycyclopentyl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944154
6-(Difluoromethyl)-3-{[1-(2-hydroxycyclohexyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944157
6-(Difluoromethyl)-3-{[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944158
6-(Difluoromethyl)-3-{[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944171
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-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126943747) is 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is O=c1cc(C(F)(F)F)ncn1CC1CCN(C2CCCC2O)CC1.
What is the InChIKey of 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is KUVDBCBONAXIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c17-16(18,19)14-8-15(24)22(10-20-14)9-11-4-6-21(7-5-11)12-2-1-3-13(12)23/h8,10-13,23H,1-7,9H2.
What are the key properties of 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 345.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).