[4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

C19H17F2N3OS — CID 51036531

IUPAC[4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cn[nH]c2)c1)N1CCC(F)(c2ccccc2F)CC1
InChIInChI=1S/C19H17F2N3OS/c20-16-4-2-1-3-15(16)19(21)5-7-24(8-6-19)18(25)13-9-17(26-12-13)14-10-22-23-11-14/h1-4,9-12H,5-8H2,(H,22,23)
InChIKeySXKQAIRNNXINBX-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.38
Rot. Bonds3

About [4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

[4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (PubChem CID 51036531) has the molecular formula C19H17F2N3OS and a molecular weight of 373.43 g/mol. Its IUPAC name is [4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name[4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
PubChem CID51036531
Molecular FormulaC19H17F2N3OS
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name[4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cn[nH]c2)c1)N1CCC(F)(c2ccccc2F)CC1
InChIInChI=1S/C19H17F2N3OS/c20-16-4-2-1-3-15(16)19(21)5-7-24(8-6-19)18(25)13-9-17(26-12-13)14-10-22-23-11-14/h1-4,9-12H,5-8H2,(H,22,23)
InChIKeySXKQAIRNNXINBX-UHFFFAOYSA-N
XLogP4.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The IUPAC name of [4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (CID 51036531) is [4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.
What is the SMILES notation for [4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The canonical SMILES for [4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(F)(c2ccccc2F)CC1.
What is the InChIKey of [4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The InChIKey is SXKQAIRNNXINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3OS/c20-16-4-2-1-3-15(16)19(21)5-7-24(8-6-19)18(25)13-9-17(26-12-13)14-10-22-23-11-14/h1-4,9-12H,5-8H2,(H,22,23).
What are the key properties of [4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
[4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone has a molecular weight of 373.43 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-(2-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is sourced from PubChem (CID 51036531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).