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

C24H25N3O2 — CID 121161926

IUPAC3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C24H25N3O2/c28-24(27-15-12-21(13-16-27)29-23-11-14-25-18-26-23)17-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-11,14,18,21-22H,12-13,15-17H2
InChIKeyCGJMKBOMAPODHW-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.07
Rot. Bonds6

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

3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one (PubChem CID 121161926) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
PubChem CID121161926
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C24H25N3O2/c28-24(27-15-12-21(13-16-27)29-23-11-14-25-18-26-23)17-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-11,14,18,21-22H,12-13,15-17H2
InChIKeyCGJMKBOMAPODHW-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

Analyze 3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558733
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 121161350
2-pyridin-4-ylsulfanyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121162112
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617358
2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161768
1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one
CID 126850699
2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161917
N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide
CID 121162017
2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161054
2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161902
1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 121161803
3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121195473

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one (CID 121161926) is 3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCC(Oc2ccncn2)CC1.
What is the InChIKey of 3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one?
The InChIKey is CGJMKBOMAPODHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(27-15-12-21(13-16-27)29-23-11-14-25-18-26-23)17-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-11,14,18,21-22H,12-13,15-17H2.
What are the key properties of 3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one?
3,3-diphenyl-1-(4-pyrimidin-4-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-4-yloxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 121161926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).