(4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone

C17H19FN2OS — CID 120736069

IUPAC(4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCNCC2c2cccc(F)c2)sc1C
InChIInChI=1S/C17H19FN2OS/c1-11-8-16(22-12(11)2)17(21)20-7-6-19-10-15(20)13-4-3-5-14(18)9-13/h3-5,8-9,15,19H,6-7,10H2,1-2H3
InChIKeySFLDDTCEZXVEEF-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.29
Rot. Bonds2

About (4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone

(4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 120736069) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
PubChem CID120736069
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name(4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCNCC2c2cccc(F)c2)sc1C
InChIInChI=1S/C17H19FN2OS/c1-11-8-16(22-12(11)2)17(21)20-7-6-19-10-15(20)13-4-3-5-14(18)9-13/h3-5,8-9,15,19H,6-7,10H2,1-2H3
InChIKeySFLDDTCEZXVEEF-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736095
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120736543
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 120736765
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 120736698
[2-(3-fluorophenyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120735469
(3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737581
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120736920
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone (CID 120736069) is (4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCNCC2c2cccc(F)c2)sc1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is SFLDDTCEZXVEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-11-8-16(22-12(11)2)17(21)20-7-6-19-10-15(20)13-4-3-5-14(18)9-13/h3-5,8-9,15,19H,6-7,10H2,1-2H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
(4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 318.42 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120736069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).