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

C15H14ClFN2OS — CID 120736095

IUPAC(5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H14ClFN2OS/c16-14-5-4-13(21-14)15(20)19-7-6-18-9-12(19)10-2-1-3-11(17)8-10/h1-5,8,12,18H,6-7,9H2
InChIKeyKQWBZMWHCKPFFF-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.33
Rot. Bonds2

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

(5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 120736095) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
PubChem CID120736095
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name(5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C15H14ClFN2OS/c16-14-5-4-13(21-14)15(20)19-7-6-18-9-12(19)10-2-1-3-11(17)8-10/h1-5,8,12,18H,6-7,9H2
InChIKeyKQWBZMWHCKPFFF-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120736543
(4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736069
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120802549
[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120735469
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-chlorophenyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone;hydrochloride
CID 120801979
[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120736351
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737625
(5-chlorothiophen-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704719
[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 120737504

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone (CID 120736095) is (5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is KQWBZMWHCKPFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c16-14-5-4-13(21-14)15(20)19-7-6-18-9-12(19)10-2-1-3-11(17)8-10/h1-5,8,12,18H,6-7,9H2.
What are the key properties of (5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 324.81 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120736095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).