2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone

C19H25N3O2 — CID 136527045

IUPAC2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCC(c3ccnn3C)CC2)cc1C
InChIInChI=1S/C19H25N3O2/c1-14-4-5-17(12-15(14)2)24-13-19(23)22-10-7-16(8-11-22)18-6-9-20-21(18)3/h4-6,9,12,16H,7-8,10-11,13H2,1-3H3
InChIKeyQBERYUXKZBMAEB-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.82
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone

2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 136527045) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone
PubChem CID136527045
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCC(c3ccnn3C)CC2)cc1C
InChIInChI=1S/C19H25N3O2/c1-14-4-5-17(12-15(14)2)24-13-19(23)22-10-7-16(8-11-22)18-6-9-20-21(18)3/h4-6,9,12,16H,7-8,10-11,13H2,1-3H3
InChIKeyQBERYUXKZBMAEB-UHFFFAOYSA-N
XLogP2.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone (CID 136527045) is 2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone is Cc1ccc(OCC(=O)N2CCC(c3ccnn3C)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is QBERYUXKZBMAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-4-5-17(12-15(14)2)24-13-19(23)22-10-7-16(8-11-22)18-6-9-20-21(18)3/h4-6,9,12,16H,7-8,10-11,13H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone?
2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 136527045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).