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

C20H21FN4OS — CID 75528401

IUPAC3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)cc1F
InChIInChI=1S/C20H21FN4OS/c1-13-4-5-14(11-16(13)21)20(26)22-15-6-8-25(9-7-15)19-12-17(23-24-19)18-3-2-10-27-18/h2-5,10-12,15H,6-9H2,1H3,(H,22,26)(H,23,24)
InChIKeyXTMNNAUNLFGIKR-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.98
Rot. Bonds4

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

3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (PubChem CID 75528401) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
PubChem CID75528401
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)cc1F
InChIInChI=1S/C20H21FN4OS/c1-13-4-5-14(11-16(13)21)20(26)22-15-6-8-25(9-7-15)19-12-17(23-24-19)18-3-2-10-27-18/h2-5,10-12,15H,6-9H2,1H3,(H,22,26)(H,23,24)
InChIKeyXTMNNAUNLFGIKR-UHFFFAOYSA-N
XLogP3.98
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (CID 75528401) is 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is Cc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The InChIKey is XTMNNAUNLFGIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-13-4-5-14(11-16(13)21)20(26)22-15-6-8-25(9-7-15)19-12-17(23-24-19)18-3-2-10-27-18/h2-5,10-12,15H,6-9H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 75528401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).