6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one

C20H24N2O3 — CID 10497359

IUPAC6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCOc1ccccc1N1CCN(CC2CC(=O)c3ccoc3C2)CC1
InChIInChI=1S/C20H24N2O3/c1-24-19-5-3-2-4-17(19)22-9-7-21(8-10-22)14-15-12-18(23)16-6-11-25-20(16)13-15/h2-6,11,15H,7-10,12-14H2,1H3
InChIKeyKDVQFYXINILZBG-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.86
Rot. Bonds4

About 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one

6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 10497359) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID10497359
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCOc1ccccc1N1CCN(CC2CC(=O)c3ccoc3C2)CC1
InChIInChI=1S/C20H24N2O3/c1-24-19-5-3-2-4-17(19)22-9-7-21(8-10-22)14-15-12-18(23)16-6-11-25-20(16)13-15/h2-6,11,15H,7-10,12-14H2,1H3
InChIKeyKDVQFYXINILZBG-UHFFFAOYSA-N
XLogP2.86
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one with MolForge

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Related Compounds

1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 2467896
2-(6-Methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2546081
[5-(Tert-butyl)-2-methyl-3-furyl][4-(2-methoxyphenyl)piperazino]methanone
CID 2812051
3,6,6-trimethyl-2-[(4-phenylpiperazin-1-yl)carbonyl]-6,7-dihydro-1-benzofuran-4(5H)-one
CID 2982858
2-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl}-3,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
CID 4904115
6-[(4-phenylpiperazin-1-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 10804909
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 11760018
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 3165040
[4-(2-Methoxyphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 660911
1-(2,5-Dimethyl-3-furoyl)-4-(2-ethoxyphenyl)piperazine
CID 1245905
[3-(Furan-2-yl)phenyl]-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24817495
3,7,8-Trimethyl-2-[(4-phenylpiperazin-1-yl)methyl]benzo[g][1]benzofuran-4,5-dione
CID 145951134

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one (CID 10497359) is 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one is COc1ccccc1N1CCN(CC2CC(=O)c3ccoc3C2)CC1.
What is the InChIKey of 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is KDVQFYXINILZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-19-5-3-2-4-17(19)22-9-7-21(8-10-22)14-15-12-18(23)16-6-11-25-20(16)13-15/h2-6,11,15H,7-10,12-14H2,1H3.
What are the key properties of 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one?
6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 340.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 10497359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).