(4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

C19H18FN3OS — CID 51036530

IUPAC(4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cn[nH]c2)c1)N1CCC(F)(c2ccccc2)CC1
InChIInChI=1S/C19H18FN3OS/c20-19(16-4-2-1-3-5-16)6-8-23(9-7-19)18(24)14-10-17(25-13-14)15-11-21-22-12-15/h1-5,10-13H,6-9H2,(H,21,22)
InChIKeyPDSJXXDAHRNQPZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.24
Rot. Bonds3

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

(4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (PubChem CID 51036530) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is (4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
PubChem CID51036530
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name(4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cn[nH]c2)c1)N1CCC(F)(c2ccccc2)CC1
InChIInChI=1S/C19H18FN3OS/c20-19(16-4-2-1-3-5-16)6-8-23(9-7-19)18(24)14-10-17(25-13-14)15-11-21-22-12-15/h1-5,10-13H,6-9H2,(H,21,22)
InChIKeyPDSJXXDAHRNQPZ-UHFFFAOYSA-N
XLogP4.24
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The IUPAC name of (4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (CID 51036530) is (4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.
What is the SMILES notation for (4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The canonical SMILES for (4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(F)(c2ccccc2)CC1.
What is the InChIKey of (4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The InChIKey is PDSJXXDAHRNQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c20-19(16-4-2-1-3-5-16)6-8-23(9-7-19)18(24)14-10-17(25-13-14)15-11-21-22-12-15/h1-5,10-13H,6-9H2,(H,21,22).
What are the key properties of (4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
(4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is sourced from PubChem (CID 51036530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).