5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride

C16H17ClFN3O2S — CID 120736543

IUPAC5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)s1
InChIInChI=1S/C16H16FN3O2S.ClH/c17-11-3-1-2-10(8-11)12-9-19-6-7-20(12)16(22)14-5-4-13(23-14)15(18)21;/h1-5,8,12,19H,6-7,9H2,(H2,18,21);1H
InChIKeyABWFIGUYFSZRHF-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.19
Rot. Bonds3

About 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride

5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120736543) has the molecular formula C16H17ClFN3O2S and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
PubChem CID120736543
Molecular FormulaC16H17ClFN3O2S
Molecular Weight369.85 g/mol
Exact Mass369.07
IUPAC Name5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)s1
InChIInChI=1S/C16H16FN3O2S.ClH/c17-11-3-1-2-10(8-11)12-9-19-6-7-20(12)16(22)14-5-4-13(23-14)15(18)21;/h1-5,8,12,19H,6-7,9H2,(H2,18,21);1H
InChIKeyABWFIGUYFSZRHF-UHFFFAOYSA-N
XLogP2.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120802549
(5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736095
(4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736069
[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120736351
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737625
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120735469
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 120736765
(3-aminopyrazin-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120737871
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride (CID 120736543) is 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride is Cl.NC(=O)c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)s1.
What is the InChIKey of 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is ABWFIGUYFSZRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S.ClH/c17-11-3-1-2-10(8-11)12-9-19-6-7-20(12)16(22)14-5-4-13(23-14)15(18)21;/h1-5,8,12,19H,6-7,9H2,(H2,18,21);1H.
What are the key properties of 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride?
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 369.85 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120736543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).