1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

C20H21N3O3 — CID 71724951

IUPAC1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(CCOc2cccnc2)CC1
InChIInChI=1S/C20H21N3O3/c24-20(19-14-16-4-1-2-6-18(16)26-19)23-10-8-22(9-11-23)12-13-25-17-5-3-7-21-15-17/h1-7,14-15H,8-13H2
InChIKeyXZGWAEHXRURBSM-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.66
Rot. Bonds5

About 1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (PubChem CID 71724951) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
PubChem CID71724951
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(CCOc2cccnc2)CC1
InChIInChI=1S/C20H21N3O3/c24-20(19-14-16-4-1-2-6-18(16)26-19)23-10-8-22(9-11-23)12-13-25-17-5-3-7-21-15-17/h1-7,14-15H,8-13H2
InChIKeyXZGWAEHXRURBSM-UHFFFAOYSA-N
XLogP2.66
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (CID 71724951) is 1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCN(CCOc2cccnc2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The InChIKey is XZGWAEHXRURBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-20(19-14-16-4-1-2-6-18(16)26-19)23-10-8-22(9-11-23)12-13-25-17-5-3-7-21-15-17/h1-7,14-15H,8-13H2.
What are the key properties of 1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71724951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).