1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one

C25H27N3O3 — CID 121161350

IUPAC1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESCOc1nccc(OC2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C25H27N3O3/c1-30-25-26-15-12-23(27-25)31-21-13-16-28(17-14-21)24(29)18-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,15,21-22H,13-14,16-18H2,1H3
InChIKeyKMVKUYAOXPEFSX-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.08
Rot. Bonds7

About 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one

1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 121161350) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID121161350
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one
SMILESCOc1nccc(OC2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C25H27N3O3/c1-30-25-26-15-12-23(27-25)31-21-13-16-28(17-14-21)24(29)18-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,15,21-22H,13-14,16-18H2,1H3
InChIKeyKMVKUYAOXPEFSX-UHFFFAOYSA-N
XLogP4.08
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
3,3-diphenyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558733
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 121161527
2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161498
1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one
CID 126850699
3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 121161926
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one
CID 121161322
2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161177
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 121161619
N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161621
(5-bromofuran-2-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161358

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one (CID 121161350) is 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one is COc1nccc(OC2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is KMVKUYAOXPEFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-25-26-15-12-23(27-25)31-21-13-16-28(17-14-21)24(29)18-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,15,21-22H,13-14,16-18H2,1H3.
What are the key properties of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one?
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 417.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 121161350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).