(4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone

C20H19FN2O2S — CID 50845916

IUPAC(4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2cccc(F)c12
InChIInChI=1S/C20H19FN2O2S/c1-25-18-17-15(21)8-5-9-16(17)26-19(18)20(24)23-12-10-22(11-13-23)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyPBKZNVMOHIRHAI-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.01
Rot. Bonds3

About (4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone

(4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 50845916) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is (4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID50845916
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name(4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2cccc(F)c12
InChIInChI=1S/C20H19FN2O2S/c1-25-18-17-15(21)8-5-9-16(17)26-19(18)20(24)23-12-10-22(11-13-23)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyPBKZNVMOHIRHAI-UHFFFAOYSA-N
XLogP4.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 50845694
(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 50846112
(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 896999
[4-(2-chlorophenyl)piperazin-1-yl]-[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanone
CID 17482771
[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 24539423
(3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 53014197
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 35809689
azepan-1-yl-(4-fluoro-3-methyl-1-benzothiophen-2-yl)methanone
CID 36675871
azetidin-1-yl-[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanone
CID 134015607
[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-thiomorpholin-4-ylmethanone
CID 56813503
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 7892809
[4-[4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone
CID 30700297

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 50845916) is (4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone is COc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2cccc(F)c12.
What is the InChIKey of (4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is PBKZNVMOHIRHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-25-18-17-15(21)8-5-9-16(17)26-19(18)20(24)23-12-10-22(11-13-23)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3.
What are the key properties of (4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 370.45 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 50845916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).