2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone

C21H28N2O4 — CID 19572435

IUPAC2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(Cc3ccco3)CC2)cc1OCC
InChIInChI=1S/C21H28N2O4/c1-3-25-19-8-7-17(14-20(19)26-4-2)15-21(24)23-11-9-22(10-12-23)16-18-6-5-13-27-18/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3
InChIKeyWXIYLKPZLIWEJX-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.96
Rot. Bonds8

About 2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone

2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 19572435) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID19572435
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(Cc3ccco3)CC2)cc1OCC
InChIInChI=1S/C21H28N2O4/c1-3-25-19-8-7-17(14-20(19)26-4-2)15-21(24)23-11-9-22(10-12-23)16-18-6-5-13-27-18/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3
InChIKeyWXIYLKPZLIWEJX-UHFFFAOYSA-N
XLogP2.96
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone (CID 19572435) is 2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCN(Cc3ccco3)CC2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is WXIYLKPZLIWEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-3-25-19-8-7-17(14-20(19)26-4-2)15-21(24)23-11-9-22(10-12-23)16-18-6-5-13-27-18/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone?
2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 372.47 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 19572435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).