3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one

C24H25N3O2 — CID 90558733

IUPAC3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C24H25N3O2/c28-23(27-16-12-21(13-17-27)29-24-25-14-7-15-26-24)18-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-11,14-15,21-22H,12-13,16-18H2
InChIKeyKJSQVDUKUKQXIY-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.07
Rot. Bonds6

About 3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one

3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one (PubChem CID 90558733) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
PubChem CID90558733
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C24H25N3O2/c28-23(27-16-12-21(13-17-27)29-24-25-14-7-15-26-24)18-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-11,14-15,21-22H,12-13,16-18H2
InChIKeyKJSQVDUKUKQXIY-UHFFFAOYSA-N
XLogP4.07
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 121161350
3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 121161926
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617358
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one
CID 126850699
2-(benzimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558579
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
2-(4-chlorophenoxy)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558704
(2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558763
2-[4-oxo-4-(4-pyrimidin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione
CID 90558819
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
2-(3-methoxyphenyl)sulfanyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 131909461

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one (CID 90558733) is 3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one?
The InChIKey is KJSQVDUKUKQXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-23(27-16-12-21(13-17-27)29-24-25-14-7-15-26-24)18-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-11,14-15,21-22H,12-13,16-18H2.
What are the key properties of 3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one?
3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one has a molecular weight of 387.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 90558733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).