[5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C20H19FN2O2S — CID 9181680

IUPAC[5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H19FN2O2S/c21-17-3-1-16(2-4-17)18-5-6-19(25-18)20(24)23-10-8-22(9-11-23)13-15-7-12-26-14-15/h1-7,12,14H,8-11,13H2
InChIKeyYEGUNASCKZZVDG-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.11
Rot. Bonds4

About [5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

[5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 9181680) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is [5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID9181680
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name[5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H19FN2O2S/c21-17-3-1-16(2-4-17)18-5-6-19(25-18)20(24)23-10-8-22(9-11-23)13-15-7-12-26-14-15/h1-7,12,14H,8-11,13H2
InChIKeyYEGUNASCKZZVDG-UHFFFAOYSA-N
XLogP4.11
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 27841746
1-(azepan-1-yl)-2-[4-[5-(4-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]ethanone
CID 35610778
[5-(4-fluorophenyl)furan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 39979395
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 71782896
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 131918948
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837
N-[(4-fluorophenyl)methyl]-4-(thiophen-3-ylmethyl)piperazine-1-carbothioamide
CID 8565034
[5-(4-fluorophenyl)furan-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17447640
(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9182011
(4-benzylpiperazin-4-ium-1-yl)-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 9071291
(2-fluoro-4-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9181646

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 9181680) is [5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of [5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is YEGUNASCKZZVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c21-17-3-1-16(2-4-17)18-5-6-19(25-18)20(24)23-10-8-22(9-11-23)13-15-7-12-26-14-15/h1-7,12,14H,8-11,13H2.
What are the key properties of [5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
[5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 9181680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).