2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone

C17H21N3O2 — CID 110866981

IUPAC2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(n3cccn3)CC2)cc1
InChIInChI=1S/C17H21N3O2/c1-14-3-5-16(6-4-14)22-13-17(21)19-11-7-15(8-12-19)20-10-2-9-18-20/h2-6,9-10,15H,7-8,11-13H2,1H3
InChIKeySVDZDGFAOUXYOX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone

2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone (PubChem CID 110866981) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
PubChem CID110866981
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(n3cccn3)CC2)cc1
InChIInChI=1S/C17H21N3O2/c1-14-3-5-16(6-4-14)22-13-17(21)19-11-7-15(8-12-19)20-10-2-9-18-20/h2-6,9-10,15H,7-8,11-13H2,1H3
InChIKeySVDZDGFAOUXYOX-UHFFFAOYSA-N
XLogP2.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110871172
2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121165003
6-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082613
2-[4-(4-methylphenoxy)phenoxy]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 56551157
1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90616528
1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90493104
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110725820
1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 46704974
1-(5-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246426
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone (CID 110866981) is 2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone is Cc1ccc(OCC(=O)N2CCC(n3cccn3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
The InChIKey is SVDZDGFAOUXYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-14-3-5-16(6-4-14)22-13-17(21)19-11-7-15(8-12-19)20-10-2-9-18-20/h2-6,9-10,15H,7-8,11-13H2,1H3.
What are the key properties of 2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110866981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).