1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone

C19H23N3O4 — CID 122261520

IUPAC1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
SMILESCOc1nccc(OC2CCCN(C(=O)COCc3ccccc3)C2)n1
InChIInChI=1S/C19H23N3O4/c1-24-19-20-10-9-17(21-19)26-16-8-5-11-22(12-16)18(23)14-25-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3
InChIKeyFWTYIAIJGRLIBD-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.07
Rot. Bonds7

About 1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone

1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone (PubChem CID 122261520) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
PubChem CID122261520
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
SMILESCOc1nccc(OC2CCCN(C(=O)COCc3ccccc3)C2)n1
InChIInChI=1S/C19H23N3O4/c1-24-19-20-10-9-17(21-19)26-16-8-5-11-22(12-16)18(23)14-25-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3
InChIKeyFWTYIAIJGRLIBD-UHFFFAOYSA-N
XLogP2.07
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 121161527
2-cyclopentylsulfanyl-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261170
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255928
2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261332
2-(2,4-dichlorophenoxy)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261314
2-(1H-indol-3-yl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261208
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 122261217
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 122261218

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone (CID 122261520) is 1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone is COc1nccc(OC2CCCN(C(=O)COCc3ccccc3)C2)n1.
What is the InChIKey of 1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is FWTYIAIJGRLIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-24-19-20-10-9-17(21-19)26-16-8-5-11-22(12-16)18(23)14-25-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3.
What are the key properties of 1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone?
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 357.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 122261520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).