2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone

C18H21N3O4 — CID 121161902

IUPAC2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESCOc1cccc(OCC(=O)N2CCC(Oc3ccncn3)CC2)c1
InChIInChI=1S/C18H21N3O4/c1-23-15-3-2-4-16(11-15)24-12-18(22)21-9-6-14(7-10-21)25-17-5-8-19-13-20-17/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3
InChIKeyNWRSOOFWXWJSNT-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.93
Rot. Bonds6

About 2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone

2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 121161902) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
PubChem CID121161902
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESCOc1cccc(OCC(=O)N2CCC(Oc3ccncn3)CC2)c1
InChIInChI=1S/C18H21N3O4/c1-23-15-3-2-4-16(11-15)24-12-18(22)21-9-6-14(7-10-21)25-17-5-8-19-13-20-17/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3
InChIKeyNWRSOOFWXWJSNT-UHFFFAOYSA-N
XLogP1.93
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161768
1-(4-pyrimidin-4-yloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 121162129
2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161897
2-(3-methoxyphenoxy)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethanone
CID 100645154
3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 121161926
2-pyridin-4-ylsulfanyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121162112
2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617132
N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide
CID 121162017
2-(3-methoxyphenoxy)-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90493100
1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 121162475
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162006
2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161917

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone (CID 121161902) is 2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone is COc1cccc(OCC(=O)N2CCC(Oc3ccncn3)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is NWRSOOFWXWJSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-23-15-3-2-4-16(11-15)24-12-18(22)21-9-6-14(7-10-21)25-17-5-8-19-13-20-17/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3.
What are the key properties of 2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 343.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 121161902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).