2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone

C19H23N3O3 — CID 122257488

IUPAC2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCCC(Oc3ncccn3)C2)cc1C
InChIInChI=1S/C19H23N3O3/c1-14-11-15(6-7-17(14)24-2)12-18(23)22-10-3-5-16(13-22)25-19-20-8-4-9-21-19/h4,6-9,11,16H,3,5,10,12-13H2,1-2H3
InChIKeyNLORVXFLHASTQB-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.41
Rot. Bonds5

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

2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone (PubChem CID 122257488) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
PubChem CID122257488
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCCC(Oc3ncccn3)C2)cc1C
InChIInChI=1S/C19H23N3O3/c1-14-11-15(6-7-17(14)24-2)12-18(23)22-10-3-5-16(13-22)25-19-20-8-4-9-21-19/h4,6-9,11,16H,3,5,10,12-13H2,1-2H3
InChIKeyNLORVXFLHASTQB-UHFFFAOYSA-N
XLogP2.41
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
CID 122258032
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 107224910
2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257244
2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122160222
2-(1,3-benzodioxol-5-yl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261467
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 122268069
1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 91628122
2-(1,3-benzodioxol-5-yl)-1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]ethanone
CID 100654984
2-(3-fluoro-4-methoxyphenyl)-1-[(3S)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 92597487
3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one
CID 122257446
2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261332

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone (CID 122257488) is 2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone is COc1ccc(CC(=O)N2CCCC(Oc3ncccn3)C2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
The InChIKey is NLORVXFLHASTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-11-15(6-7-17(14)24-2)12-18(23)22-10-3-5-16(13-22)25-19-20-8-4-9-21-19/h4,6-9,11,16H,3,5,10,12-13H2,1-2H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone?
2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone has a molecular weight of 341.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122257488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).