(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C17H19FN2OS — CID 17217714

IUPAC(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)cs1
InChIInChI=1S/C17H19FN2OS/c1-2-14-11-13(12-22-14)17(21)20-9-7-19(8-10-20)16-6-4-3-5-15(16)18/h3-6,11-12H,2,7-10H2,1H3
InChIKeyGMEDUSVJUHHWLE-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.41
Rot. Bonds3

About (5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 17217714) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is (5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID17217714
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)cs1
InChIInChI=1S/C17H19FN2OS/c1-2-14-11-13(12-22-14)17(21)20-9-7-19(8-10-20)16-6-4-3-5-15(16)18/h3-6,11-12H,2,7-10H2,1H3
InChIKeyGMEDUSVJUHHWLE-UHFFFAOYSA-N
XLogP3.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone
CID 1246661
[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 17418431
6-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 74247706
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
[4-(2-fluorophenyl)piperazin-1-yl]-(4-sulfanylthiophen-2-yl)methanone
CID 107023625
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083
(4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone
CID 17193910
(5-ethylthiophen-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 17191263
(3,5-dinitrophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2496852

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 17217714) is (5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is CCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)cs1.
What is the InChIKey of (5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is GMEDUSVJUHHWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-2-14-11-13(12-22-14)17(21)20-9-7-19(8-10-20)16-6-4-3-5-15(16)18/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of (5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17217714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).