1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone

C25H27N3O2 — CID 122257837

IUPAC1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
SMILESCc1cc(C)nc(OC2CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)n1
InChIInChI=1S/C25H27N3O2/c1-18-16-19(2)27-25(26-18)30-22-14-9-15-28(17-22)24(29)23(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,16,22-23H,9,14-15,17H2,1-2H3
InChIKeyDPYQVYZETSOHJM-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.30
Rot. Bonds5

About 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone

1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone (PubChem CID 122257837) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
PubChem CID122257837
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
SMILESCc1cc(C)nc(OC2CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)n1
InChIInChI=1S/C25H27N3O2/c1-18-16-19(2)27-25(26-18)30-22-14-9-15-28(17-22)24(29)23(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,16,22-23H,9,14-15,17H2,1-2H3
InChIKeyDPYQVYZETSOHJM-UHFFFAOYSA-N
XLogP4.30
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone with MolForge

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Related Compounds

1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122260317
[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 122257702
2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161054
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122257904
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 122257799
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 122257980
cyclohexyl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257735
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(4-phenylphenoxy)ethanone
CID 122257957
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 122258099
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122257888
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 122258109
1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257854

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone (CID 122257837) is 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone is Cc1cc(C)nc(OC2CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)n1.
What is the InChIKey of 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone?
The InChIKey is DPYQVYZETSOHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18-16-19(2)27-25(26-18)30-22-14-9-15-28(17-22)24(29)23(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,16,22-23H,9,14-15,17H2,1-2H3.
What are the key properties of 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone?
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone has a molecular weight of 401.51 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 122257837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).