[1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C22H26FN3O3S — CID 2973362

IUPAC[1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN3O3S/c23-19-8-10-20(11-9-19)24-13-15-25(16-14-24)22(27)18-5-4-12-26(17-18)30(28,29)21-6-2-1-3-7-21/h1-3,6-11,18H,4-5,12-17H2
InChIKeyQQXUXJPOZYBWBX-UHFFFAOYSA-N
MW431.53 g/mol
LogP2.58
Rot. Bonds4

About [1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 2973362) has the molecular formula C22H26FN3O3S and a molecular weight of 431.53 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID2973362
Molecular FormulaC22H26FN3O3S
Molecular Weight431.53 g/mol
Exact Mass431.17
IUPAC Name[1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN3O3S/c23-19-8-10-20(11-9-19)24-13-15-25(16-14-24)22(27)18-5-4-12-26(17-18)30(28,29)21-6-2-1-3-7-21/h1-3,6-11,18H,4-5,12-17H2
InChIKeyQQXUXJPOZYBWBX-UHFFFAOYSA-N
XLogP2.58
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 2973362) is [1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is QQXUXJPOZYBWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3S/c23-19-8-10-20(11-9-19)24-13-15-25(16-14-24)22(27)18-5-4-12-26(17-18)30(28,29)21-6-2-1-3-7-21/h1-3,6-11,18H,4-5,12-17H2.
What are the key properties of [1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 431.53 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2973362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).