[4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone

C20H24FN3O3S2 — CID 15989416

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O3S2/c21-17-6-1-2-7-18(17)22-10-12-23(13-11-22)20(25)16-5-3-9-24(15-16)29(26,27)19-8-4-14-28-19/h1-2,4,6-8,14,16H,3,5,9-13,15H2
InChIKeyTXXMYSJFAXIDHA-UHFFFAOYSA-N
MW437.56 g/mol
LogP2.64
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone (PubChem CID 15989416) has the molecular formula C20H24FN3O3S2 and a molecular weight of 437.56 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
PubChem CID15989416
Molecular FormulaC20H24FN3O3S2
Molecular Weight437.56 g/mol
Exact Mass437.12
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O3S2/c21-17-6-1-2-7-18(17)22-10-12-23(13-11-22)20(25)16-5-3-9-24(15-16)29(26,27)19-8-4-14-28-19/h1-2,4,6-8,14,16H,3,5,9-13,15H2
InChIKeyTXXMYSJFAXIDHA-UHFFFAOYSA-N
XLogP2.64
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone (CID 15989416) is [4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone is O=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
The InChIKey is TXXMYSJFAXIDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S2/c21-17-6-1-2-7-18(17)22-10-12-23(13-11-22)20(25)16-5-3-9-24(15-16)29(26,27)19-8-4-14-28-19/h1-2,4,6-8,14,16H,3,5,9-13,15H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone has a molecular weight of 437.56 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 15989416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).