(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone

C16H15FN2O2S — CID 36507181

IUPAC(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C16H15FN2O2S/c17-14-3-1-12(2-4-14)15(20)18-6-8-19(9-7-18)16(21)13-5-10-22-11-13/h1-5,10-11H,6-9H2
InChIKeyRHDDMWYQJXNBMQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.49
Rot. Bonds2

About (4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone

(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 36507181) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
PubChem CID36507181
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C16H15FN2O2S/c17-14-3-1-12(2-4-14)15(20)18-6-8-19(9-7-18)16(21)13-5-10-22-11-13/h1-5,10-11H,6-9H2
InChIKeyRHDDMWYQJXNBMQ-UHFFFAOYSA-N
XLogP2.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 103514904
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 46478996
[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 17418431
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 54873741
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
4-oxo-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]butanoic acid
CID 60948619
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 17485336
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
(4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone
CID 24699677

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone (CID 36507181) is (4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is RHDDMWYQJXNBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c17-14-3-1-12(2-4-14)15(20)18-6-8-19(9-7-18)16(21)13-5-10-22-11-13/h1-5,10-11H,6-9H2.
What are the key properties of (4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 318.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 36507181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).