(4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone

C21H18FNO2S2 — CID 2814288

IUPAC(4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(-c3cccs3)s2)CC1
InChIInChI=1S/C21H18FNO2S2/c22-16-5-3-14(4-6-16)20(24)15-9-11-23(12-10-15)21(25)19-8-7-18(27-19)17-2-1-13-26-17/h1-8,13,15H,9-12H2
InChIKeyGNLSVFNCDWGZFW-UHFFFAOYSA-N
MW399.51 g/mol
LogP5.35
Rot. Bonds4

About (4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone

(4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 2814288) has the molecular formula C21H18FNO2S2 and a molecular weight of 399.51 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone
PubChem CID2814288
Molecular FormulaC21H18FNO2S2
Molecular Weight399.51 g/mol
Exact Mass399.08
IUPAC Name(4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(-c3cccs3)s2)CC1
InChIInChI=1S/C21H18FNO2S2/c22-16-5-3-14(4-6-16)20(24)15-9-11-23(12-10-15)21(25)19-8-7-18(27-19)17-2-1-13-26-17/h1-8,13,15H,9-12H2
InChIKeyGNLSVFNCDWGZFW-UHFFFAOYSA-N
XLogP5.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.51
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
5-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one
CID 10022123
[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]-(2-thienyl)methanone
CID 489822
Thiophene-2-carboxylic acid [2-(4-fluoro-phenyl)-2-oxo-ethyl]-amide
CID 856371
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-(2-thienyl)phenyl]ethane-1,2-dione
CID 44191363
2,2-Diphenyl-1-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-ethanone
CID 1147951
1-(2-Phenylethyl)-4-(2-thienylcarbonyl)piperazine
CID 1246520
1-Benzyl-4-[(5-ethylthieno[2,3-b]thien-2-yl)carbonyl]piperazine
CID 1285074
(4-Fluoro-1-benzothiophen-2-yl)(1-pyrrolidinyl)methanone
CID 1477947
2-[4-(3-Fluoro-benzoyl)-piperidin-1-yl]-N-thiophen-2-ylmethyl-acetamide
CID 12004582

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone (CID 2814288) is (4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(-c3cccs3)s2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is GNLSVFNCDWGZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2S2/c22-16-5-3-14(4-6-16)20(24)15-9-11-23(12-10-15)21(25)19-8-7-18(27-19)17-2-1-13-26-17/h1-8,13,15H,9-12H2.
What are the key properties of (4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 399.51 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(5-thiophen-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 2814288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).