6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one

C14H18F5N3O2 — CID 126944171

IUPAC6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C(F)F)ncn1CC1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C14H18F5N3O2/c15-13(16)10-5-12(24)22(8-20-10)6-9-1-3-21(4-2-9)7-11(23)14(17,18)19/h5,8-9,11,13,23H,1-4,6-7H2
InChIKeyHWPKIZWZIRSWEI-UHFFFAOYSA-N
MW355.31 g/mol
LogP1.82
Rot. Bonds5

About 6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944171) has the molecular formula C14H18F5N3O2 and a molecular weight of 355.31 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944171
Molecular FormulaC14H18F5N3O2
Molecular Weight355.31 g/mol
Exact Mass355.13
IUPAC Name6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(C(F)F)ncn1CC1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C14H18F5N3O2/c15-13(16)10-5-12(24)22(8-20-10)6-9-1-3-21(4-2-9)7-11(23)14(17,18)19/h5,8-9,11,13,23H,1-4,6-7H2
InChIKeyHWPKIZWZIRSWEI-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

6-(difluoromethyl)-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943916
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944098
3-[(1-cyclohexylpiperidin-4-yl)methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126943917
3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942124
3-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944006
6-(difluoromethyl)-3-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944080
3-[[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944124
6-(difluoromethyl)-3-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944070
6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944047
6-(difluoromethyl)-3-[[1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944059
6-(difluoromethyl)-3-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943983
6-(difluoromethyl)-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944037

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944171) is 6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(C(F)F)ncn1CC1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is HWPKIZWZIRSWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F5N3O2/c15-13(16)10-5-12(24)22(8-20-10)6-9-1-3-21(4-2-9)7-11(23)14(17,18)19/h5,8-9,11,13,23H,1-4,6-7H2.
What are the key properties of 6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 355.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).