[4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone

C16H17FN2OS — CID 17191300

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C16H17FN2OS/c1-12-10-13(11-21-12)16(20)19-8-6-18(7-9-19)15-4-2-14(17)3-5-15/h2-5,10-11H,6-9H2,1H3
InChIKeyLRXKDYKVQJPANE-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.16
Rot. Bonds2

About [4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone (PubChem CID 17191300) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone
PubChem CID17191300
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C16H17FN2OS/c1-12-10-13(11-21-12)16(20)19-8-6-18(7-9-19)15-4-2-14(17)3-5-15/h2-5,10-11H,6-9H2,1H3
InChIKeyLRXKDYKVQJPANE-UHFFFAOYSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone (CID 17191300) is [4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cs1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone?
The InChIKey is LRXKDYKVQJPANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-12-10-13(11-21-12)16(20)19-8-6-18(7-9-19)15-4-2-14(17)3-5-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone has a molecular weight of 304.39 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 17191300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).