1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one

C19H23N3O4 — CID 121161322

IUPAC1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one
SMILESCOc1nccc(OC2CCN(C(=O)C(C)Oc3ccccc3)CC2)n1
InChIInChI=1S/C19H23N3O4/c1-14(25-15-6-4-3-5-7-15)18(23)22-12-9-16(10-13-22)26-17-8-11-20-19(21-17)24-2/h3-8,11,14,16H,9-10,12-13H2,1-2H3
InChIKeyKMCFWVOUMFLFGC-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.32
Rot. Bonds6

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

1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one (PubChem CID 121161322) 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-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one
PubChem CID121161322
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one
SMILESCOc1nccc(OC2CCN(C(=O)C(C)Oc3ccccc3)CC2)n1
InChIInChI=1S/C19H23N3O4/c1-14(25-15-6-4-3-5-7-15)18(23)22-12-9-16(10-13-22)26-17-8-11-20-19(21-17)24-2/h3-8,11,14,16H,9-10,12-13H2,1-2H3
InChIKeyKMCFWVOUMFLFGC-UHFFFAOYSA-N
XLogP2.32
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one
CID 71798614
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 121161350
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 121161527
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
(2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one
CID 97104981
2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161498
N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161621
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121161309
4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 121161619
2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121161723

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one (CID 121161322) is 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one is COc1nccc(OC2CCN(C(=O)C(C)Oc3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is KMCFWVOUMFLFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-14(25-15-6-4-3-5-7-15)18(23)22-12-9-16(10-13-22)26-17-8-11-20-19(21-17)24-2/h3-8,11,14,16H,9-10,12-13H2,1-2H3.
What are the key properties of 1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one?
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one has a molecular weight of 357.41 g/mol, XLogP of 2.32, 6 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-phenoxypropan-1-one is sourced from PubChem (CID 121161322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).