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

C23H23N3O2 — CID 122161054

IUPAC2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C23H23N3O2/c27-23(22(18-8-3-1-4-9-18)19-10-5-2-6-11-19)26-15-7-12-20(16-26)28-21-13-14-24-17-25-21/h1-6,8-11,13-14,17,20,22H,7,12,15-16H2
InChIKeyJZBLWBDKFVHRKH-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.68
Rot. Bonds5

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

2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 122161054) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
PubChem CID122161054
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C23H23N3O2/c27-23(22(18-8-3-1-4-9-18)19-10-5-2-6-11-19)26-15-7-12-20(16-26)28-21-13-14-24-17-25-21/h1-6,8-11,13-14,17,20,22H,7,12,15-16H2
InChIKeyJZBLWBDKFVHRKH-UHFFFAOYSA-N
XLogP3.68
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122161080
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122257837
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122260317
5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one
CID 122259960
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259988
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161052
N-propyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260053
1-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)imidazolidin-2-one
CID 122161089
2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161041

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone (CID 122161054) is 2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of 2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is JZBLWBDKFVHRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-23(22(18-8-3-1-4-9-18)19-10-5-2-6-11-19)26-15-7-12-20(16-26)28-21-13-14-24-17-25-21/h1-6,8-11,13-14,17,20,22H,7,12,15-16H2.
What are the key properties of 2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 373.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122161054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).