[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone

C16H17FN2OS — CID 110293025

IUPAC[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESCN1CCN(C(=O)c2cccs2)CC1c1ccccc1F
InChIInChI=1S/C16H17FN2OS/c1-18-8-9-19(16(20)15-7-4-10-21-15)11-14(18)12-5-2-3-6-13(12)17/h2-7,10,14H,8-9,11H2,1H3
InChIKeyBODUESRJKWMWIH-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.02
Rot. Bonds2

About [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone

[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 110293025) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID110293025
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESCN1CCN(C(=O)c2cccs2)CC1c1ccccc1F
InChIInChI=1S/C16H17FN2OS/c1-18-8-9-19(16(20)15-7-4-10-21-15)11-14(18)12-5-2-3-6-13(12)17/h2-7,10,14H,8-9,11H2,1H3
InChIKeyBODUESRJKWMWIH-UHFFFAOYSA-N
XLogP3.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293046
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone
CID 110293024
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(3-phenylphenyl)methanone
CID 110293076
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110293052
(E)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylbut-2-en-1-one
CID 110310478
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 110293021
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 25348569
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110310464
[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2896965
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113081223
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone (CID 110293025) is [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone is CN1CCN(C(=O)c2cccs2)CC1c1ccccc1F.
What is the InChIKey of [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is BODUESRJKWMWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-18-8-9-19(16(20)15-7-4-10-21-15)11-14(18)12-5-2-3-6-13(12)17/h2-7,10,14H,8-9,11H2,1H3.
What are the key properties of [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone?
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110293025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).