2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C17H20N2O3 — CID 110690646

IUPAC2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cc2ccco2)CC1
InChIInChI=1S/C17H20N2O3/c1-21-16-7-3-2-6-15(16)18-8-10-19(11-9-18)17(20)13-14-5-4-12-22-14/h2-7,12H,8-11,13H2,1H3
InChIKeyNSIOUQYEWRQMRY-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.18
Rot. Bonds4

About 2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 110690646) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID110690646
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cc2ccco2)CC1
InChIInChI=1S/C17H20N2O3/c1-21-16-7-3-2-6-15(16)18-8-10-19(11-9-18)17(20)13-14-5-4-12-22-14/h2-7,12H,8-11,13H2,1H3
InChIKeyNSIOUQYEWRQMRY-UHFFFAOYSA-N
XLogP2.18
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 3980124
N-(furan-2-ylmethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161025
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501
furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 9327834
2-isocyano-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 12017077
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 78781102
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 8867499
N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 1031541
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9336093
N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133688
N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 1030450

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 110690646) is 2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)Cc2ccco2)CC1.
What is the InChIKey of 2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is NSIOUQYEWRQMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-16-7-3-2-6-15(16)18-8-10-19(11-9-18)17(20)13-14-5-4-12-22-14/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 300.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110690646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).