[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C22H24FN5O4S — CID 15989406

IUPAC[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccc3nonc23)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24FN5O4S/c23-17-4-6-18(7-5-17)26-12-14-27(15-13-26)22(29)16-8-10-28(11-9-16)33(30,31)20-3-1-2-19-21(20)25-32-24-19/h1-7,16H,8-15H2
InChIKeyDLINYKUFPOTRDN-UHFFFAOYSA-N
MW473.53 g/mol
LogP2.11
Rot. Bonds4

About [1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 15989406) has the molecular formula C22H24FN5O4S and a molecular weight of 473.53 g/mol. Its IUPAC name is [1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID15989406
Molecular FormulaC22H24FN5O4S
Molecular Weight473.53 g/mol
Exact Mass473.15
IUPAC Name[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccc3nonc23)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24FN5O4S/c23-17-4-6-18(7-5-17)26-12-14-27(15-13-26)22(29)16-8-10-28(11-9-16)33(30,31)20-3-1-2-19-21(20)25-32-24-19/h1-7,16H,8-15H2
InChIKeyDLINYKUFPOTRDN-UHFFFAOYSA-N
XLogP2.11
TPSA99.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 15989406) is [1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(C1CCN(S(=O)(=O)c2cccc3nonc23)CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is DLINYKUFPOTRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4S/c23-17-4-6-18(7-5-17)26-12-14-27(15-13-26)22(29)16-8-10-28(11-9-16)33(30,31)20-3-1-2-19-21(20)25-32-24-19/h1-7,16H,8-15H2.
What are the key properties of [1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 473.53 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 15989406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).