1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C15H20N2O3 — CID 63587404

IUPAC1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)COC2)N1CCN(CCO)CC1
InChIInChI=1S/C15H20N2O3/c18-8-7-16-3-5-17(6-4-16)15(19)12-1-2-13-10-20-11-14(13)9-12/h1-2,9,18H,3-8,10-11H2
InChIKeyFFCTVEJXQGASTP-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.47
Rot. Bonds3

About 1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 63587404) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID63587404
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)COC2)N1CCN(CCO)CC1
InChIInChI=1S/C15H20N2O3/c18-8-7-16-3-5-17(6-4-16)15(19)12-1-2-13-10-20-11-14(13)9-12/h1-2,9,18H,3-8,10-11H2
InChIKeyFFCTVEJXQGASTP-UHFFFAOYSA-N
XLogP0.47
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 63587404) is 1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1ccc2c(c1)COC2)N1CCN(CCO)CC1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is FFCTVEJXQGASTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-8-7-16-3-5-17(6-4-16)15(19)12-1-2-13-10-20-11-14(13)9-12/h1-2,9,18H,3-8,10-11H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 276.34 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 63587404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).