[4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone

C19H24FN5O3S — CID 20856447

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN5O3S/c20-16-1-3-17(4-2-16)23-9-11-24(12-10-23)19(26)15-5-7-25(8-6-15)29(27,28)18-13-21-14-22-18/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyVHJRXVMBPJMWJL-UHFFFAOYSA-N
MW421.50 g/mol
LogP1.30
Rot. Bonds4

About [4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone (PubChem CID 20856447) has the molecular formula C19H24FN5O3S and a molecular weight of 421.50 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone
PubChem CID20856447
Molecular FormulaC19H24FN5O3S
Molecular Weight421.50 g/mol
Exact Mass421.16
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H24FN5O3S/c20-16-1-3-17(4-2-16)23-9-11-24(12-10-23)19(26)15-5-7-25(8-6-15)29(27,28)18-13-21-14-22-18/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeyVHJRXVMBPJMWJL-UHFFFAOYSA-N
XLogP1.30
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone (CID 20856447) is [4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone is O=C(C1CCN(S(=O)(=O)c2cnc[nH]2)CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone?
The InChIKey is VHJRXVMBPJMWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3S/c20-16-1-3-17(4-2-16)23-9-11-24(12-10-23)19(26)15-5-7-25(8-6-15)29(27,28)18-13-21-14-22-18/h1-4,13-15H,5-12H2,(H,21,22).
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone has a molecular weight of 421.50 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 20856447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).