2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone

C19H23N3O2 — CID 56778878

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)CCO2)N1CCCCC1Cn1cccn1
InChIInChI=1S/C19H23N3O2/c23-19(13-15-5-6-18-16(12-15)7-11-24-18)22-10-2-1-4-17(22)14-21-9-3-8-20-21/h3,5-6,8-9,12,17H,1-2,4,7,10-11,13-14H2
InChIKeyQXVCAIABKXOXCJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.44
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone

2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 56778878) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID56778878
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc2c(c1)CCO2)N1CCCCC1Cn1cccn1
InChIInChI=1S/C19H23N3O2/c23-19(13-15-5-6-18-16(12-15)7-11-24-18)22-10-2-1-4-17(22)14-21-9-3-8-20-21/h3,5-6,8-9,12,17H,1-2,4,7,10-11,13-14H2
InChIKeyQXVCAIABKXOXCJ-UHFFFAOYSA-N
XLogP2.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone (CID 56778878) is 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone is O=C(Cc1ccc2c(c1)CCO2)N1CCCCC1Cn1cccn1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is QXVCAIABKXOXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(13-15-5-6-18-16(12-15)7-11-24-18)22-10-2-1-4-17(22)14-21-9-3-8-20-21/h3,5-6,8-9,12,17H,1-2,4,7,10-11,13-14H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56778878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).