[4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone

C18H21FN2OS — CID 17191272

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C18H21FN2OS/c1-13(2)17-11-14(12-23-17)18(22)21-9-7-20(8-10-21)16-5-3-15(19)4-6-16/h3-6,11-13H,7-10H2,1-2H3
InChIKeyDATRAYISCWTGJC-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.97
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone (PubChem CID 17191272) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
PubChem CID17191272
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C18H21FN2OS/c1-13(2)17-11-14(12-23-17)18(22)21-9-7-20(8-10-21)16-5-3-15(19)4-6-16/h3-6,11-13H,7-10H2,1-2H3
InChIKeyDATRAYISCWTGJC-UHFFFAOYSA-N
XLogP3.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.97
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-propan-2-ylthiophen-3-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone (CID 17191272) is [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone is CC(C)c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cs1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The InChIKey is DATRAYISCWTGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-13(2)17-11-14(12-23-17)18(22)21-9-7-20(8-10-21)16-5-3-15(19)4-6-16/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone has a molecular weight of 332.44 g/mol, XLogP of 3.97, 3 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-propan-2-ylthiophen-3-yl)methanone is sourced from PubChem (CID 17191272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).