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

C15H15FN2OS — CID 17418431

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H15FN2OS/c16-13-3-1-2-4-14(13)17-6-8-18(9-7-17)15(19)12-5-10-20-11-12/h1-5,10-11H,6-9H2
InChIKeyTYDFNDGHLPJPID-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.85
Rot. Bonds2

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

[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 17418431) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID17418431
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H15FN2OS/c16-13-3-1-2-4-14(13)17-6-8-18(9-7-17)15(19)12-5-10-20-11-12/h1-5,10-11H,6-9H2
InChIKeyTYDFNDGHLPJPID-UHFFFAOYSA-N
XLogP2.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082
1-[2-fluoro-6-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]phenyl]ethanone
CID 60521453
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 30450778
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
thiophen-3-yl-[4-[2-(trifluoromethylsulfonyl)phenyl]-1,4-diazepan-1-yl]methanone
CID 60521376
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 36840265
(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217714
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 17485336

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone (CID 17418431) is [4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is TYDFNDGHLPJPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c16-13-3-1-2-4-14(13)17-6-8-18(9-7-17)15(19)12-5-10-20-11-12/h1-5,10-11H,6-9H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone?
[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 290.36 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 17418431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).