2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone

C20H25N3O3 — CID 132770796

IUPAC2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1ccc(C2CC2)n1)N1CCCC(O)(COc2ccccc2)C1
InChIInChI=1S/C20H25N3O3/c24-19(13-23-12-9-18(21-23)16-7-8-16)22-11-4-10-20(25,14-22)15-26-17-5-2-1-3-6-17/h1-3,5-6,9,12,16,25H,4,7-8,10-11,13-15H2
InChIKeyGWXRUDXTUBAWLW-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.19
Rot. Bonds6

About 2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone

2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone (PubChem CID 132770796) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
PubChem CID132770796
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1ccc(C2CC2)n1)N1CCCC(O)(COc2ccccc2)C1
InChIInChI=1S/C20H25N3O3/c24-19(13-23-12-9-18(21-23)16-7-8-16)22-11-4-10-20(25,14-22)15-26-17-5-2-1-3-6-17/h1-3,5-6,9,12,16,25H,4,7-8,10-11,13-15H2
InChIKeyGWXRUDXTUBAWLW-UHFFFAOYSA-N
XLogP2.19
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone (CID 132770796) is 2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone is O=C(Cn1ccc(C2CC2)n1)N1CCCC(O)(COc2ccccc2)C1.
What is the InChIKey of 2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is GWXRUDXTUBAWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-19(13-23-12-9-18(21-23)16-7-8-16)22-11-4-10-20(25,14-22)15-26-17-5-2-1-3-6-17/h1-3,5-6,9,12,16,25H,4,7-8,10-11,13-15H2.
What are the key properties of 2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone?
2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 355.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpyrazol-1-yl)-1-[3-hydroxy-3-(phenoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 132770796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).