[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone

C20H19FN2O3 — CID 6472790

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1cccc2cc(C(=O)N3CCN(c4ccccc4F)CC3)oc12
InChIInChI=1S/C20H19FN2O3/c1-25-17-8-4-5-14-13-18(26-19(14)17)20(24)23-11-9-22(10-12-23)16-7-3-2-6-15(16)21/h2-8,13H,9-12H2,1H3
InChIKeyIMGCEKKRBBLSJB-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.54
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone (PubChem CID 6472790) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
PubChem CID6472790
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1cccc2cc(C(=O)N3CCN(c4ccccc4F)CC3)oc12
InChIInChI=1S/C20H19FN2O3/c1-25-17-8-4-5-14-13-18(26-19(14)17)20(24)23-11-9-22(10-12-23)16-7-3-2-6-15(16)21/h2-8,13H,9-12H2,1H3
InChIKeyIMGCEKKRBBLSJB-UHFFFAOYSA-N
XLogP3.54
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-methoxy-1-benzofuran-2-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343430
(7-methoxy-1-benzofuran-2-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332265
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 78868151
(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 78892364
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
CID 134160907
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone
CID 15990858
(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409
(3S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 99639026
2-(1H-indol-3-yl)-1-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 78890809
[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 3800992
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone (CID 6472790) is [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone is COc1cccc2cc(C(=O)N3CCN(c4ccccc4F)CC3)oc12.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?
The InChIKey is IMGCEKKRBBLSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-25-17-8-4-5-14-13-18(26-19(14)17)20(24)23-11-9-22(10-12-23)16-7-3-2-6-15(16)21/h2-8,13H,9-12H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone has a molecular weight of 354.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 6472790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).