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

C19H23N3O4 — CID 121161527

IUPAC1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
SMILESCOc1nccc(OC2CCN(C(=O)COCc3ccccc3)CC2)n1
InChIInChI=1S/C19H23N3O4/c1-24-19-20-10-7-17(21-19)26-16-8-11-22(12-9-16)18(23)14-25-13-15-5-3-2-4-6-15/h2-7,10,16H,8-9,11-14H2,1H3
InChIKeyYWKHFDCCHDKKQJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.07
Rot. Bonds7

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

1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone (PubChem CID 121161527) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
PubChem CID121161527
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
SMILESCOc1nccc(OC2CCN(C(=O)COCc3ccccc3)CC2)n1
InChIInChI=1S/C19H23N3O4/c1-24-19-20-10-7-17(21-19)26-16-8-11-22(12-9-16)18(23)14-25-13-15-5-3-2-4-6-15/h2-7,10,16H,8-9,11-14H2,1H3
InChIKeyYWKHFDCCHDKKQJ-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone (CID 121161527) is 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone is COc1nccc(OC2CCN(C(=O)COCc3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is YWKHFDCCHDKKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-24-19-20-10-7-17(21-19)26-16-8-11-22(12-9-16)18(23)14-25-13-15-5-3-2-4-6-15/h2-7,10,16H,8-9,11-14H2,1H3.
What are the key properties of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone?
1-[4-(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-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 121161527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).