1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone

C22H25N3O3 — CID 86881851

IUPAC1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCCC(n2cccn2)C1
InChIInChI=1S/C22H25N3O3/c26-22(24-11-3-5-16(14-24)25-12-4-10-23-25)15-27-17-8-9-21-19(13-17)18-6-1-2-7-20(18)28-21/h4,8-10,12-13,16H,1-3,5-7,11,14-15H2
InChIKeyPMUPRNRKNGMHDO-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.75
Rot. Bonds4

About 1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone

1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone (PubChem CID 86881851) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone.

Molecular Properties

Compound Name1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
PubChem CID86881851
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCCC(n2cccn2)C1
InChIInChI=1S/C22H25N3O3/c26-22(24-11-3-5-16(14-24)25-12-4-10-23-25)15-27-17-8-9-21-19(13-17)18-6-1-2-7-20(18)28-21/h4,8-10,12-13,16H,1-3,5-7,11,14-15H2
InChIKeyPMUPRNRKNGMHDO-UHFFFAOYSA-N
XLogP3.75
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone with MolForge

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Related Compounds

1-(4-pyridin-4-ylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 9048368
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 16549718
N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55737258
1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 86913342
2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 86957677
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 2328945
N,N-dimethyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46652492
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 55371141
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 31155237
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95158590
N-(pyridin-2-ylmethyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8880601
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone?
The IUPAC name of 1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone (CID 86881851) is 1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone.
What is the SMILES notation for 1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone?
The canonical SMILES for 1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone is O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCCC(n2cccn2)C1.
What is the InChIKey of 1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone?
The InChIKey is PMUPRNRKNGMHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-22(24-11-3-5-16(14-24)25-12-4-10-23-25)15-27-17-8-9-21-19(13-17)18-6-1-2-7-20(18)28-21/h4,8-10,12-13,16H,1-3,5-7,11,14-15H2.
What are the key properties of 1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone?
1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone has a molecular weight of 379.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone is sourced from PubChem (CID 86881851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).