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

C17H21N3O2 — CID 126772873

IUPAC2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1cnn(C2CCCN(C(=O)Cc3cccc(O)c3)C2)c1
InChIInChI=1S/C17H21N3O2/c1-13-10-18-20(11-13)15-5-3-7-19(12-15)17(22)9-14-4-2-6-16(21)8-14/h2,4,6,8,10-11,15,21H,3,5,7,9,12H2,1H3
InChIKeyJFKXRIVEZMRQPF-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.30
Rot. Bonds3

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

2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 126772873) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
PubChem CID126772873
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1cnn(C2CCCN(C(=O)Cc3cccc(O)c3)C2)c1
InChIInChI=1S/C17H21N3O2/c1-13-10-18-20(11-13)15-5-3-7-19(12-15)17(22)9-14-4-2-6-16(21)8-14/h2,4,6,8,10-11,15,21H,3,5,7,9,12H2,1H3
InChIKeyJFKXRIVEZMRQPF-UHFFFAOYSA-N
XLogP2.30
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 95280540
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95303199
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95280581
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 119881484
2-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119881442
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95280551
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95382966
(3-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119881469
2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61399395

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone (CID 126772873) is 2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone is Cc1cnn(C2CCCN(C(=O)Cc3cccc(O)c3)C2)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is JFKXRIVEZMRQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-10-18-20(11-13)15-5-3-7-19(12-15)17(22)9-14-4-2-6-16(21)8-14/h2,4,6,8,10-11,15,21H,3,5,7,9,12H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126772873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).