3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide

C19H18F2N4OS — CID 75528388

IUPAC3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N4OS/c20-14-4-3-12(10-15(14)21)19(26)22-13-5-7-25(8-6-13)18-11-16(23-24-18)17-2-1-9-27-17/h1-4,9-11,13H,5-8H2,(H,22,26)(H,23,24)
InChIKeyITDOWECUOPLHAE-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.82
Rot. Bonds4

About 3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide

3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (PubChem CID 75528388) has the molecular formula C19H18F2N4OS and a molecular weight of 388.44 g/mol. Its IUPAC name is 3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
PubChem CID75528388
Molecular FormulaC19H18F2N4OS
Molecular Weight388.44 g/mol
Exact Mass388.12
IUPAC Name3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N4OS/c20-14-4-3-12(10-15(14)21)19(26)22-13-5-7-25(8-6-13)18-11-16(23-24-18)17-2-1-9-27-17/h1-4,9-11,13H,5-8H2,(H,22,26)(H,23,24)
InChIKeyITDOWECUOPLHAE-UHFFFAOYSA-N
XLogP3.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (CID 75528388) is 3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The InChIKey is ITDOWECUOPLHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4OS/c20-14-4-3-12(10-15(14)21)19(26)22-13-5-7-25(8-6-13)18-11-16(23-24-18)17-2-1-9-27-17/h1-4,9-11,13H,5-8H2,(H,22,26)(H,23,24).
What are the key properties of 3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide has a molecular weight of 388.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 75528388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).