1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone

C17H20N2O2 — CID 61445139

IUPAC1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(C2CC2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C17H20N2O2/c20-15(17-11-13-3-1-2-4-16(13)21-17)12-18-7-9-19(10-8-18)14-5-6-14/h1-4,11,14H,5-10,12H2
InChIKeyAYCOHUQEXICIPH-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.40
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone

1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone (PubChem CID 61445139) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone
PubChem CID61445139
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(C2CC2)CC1)c1cc2ccccc2o1
InChIInChI=1S/C17H20N2O2/c20-15(17-11-13-3-1-2-4-16(13)21-17)12-18-7-9-19(10-8-18)14-5-6-14/h1-4,11,14H,5-10,12H2
InChIKeyAYCOHUQEXICIPH-UHFFFAOYSA-N
XLogP2.40
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone (CID 61445139) is 1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone is O=C(CN1CCN(C2CC2)CC1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone?
The InChIKey is AYCOHUQEXICIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-15(17-11-13-3-1-2-4-16(13)21-17)12-18-7-9-19(10-8-18)14-5-6-14/h1-4,11,14H,5-10,12H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone?
1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone is sourced from PubChem (CID 61445139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).