3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide

C22H23FN4O2 — CID 91887778

IUPAC3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)cc1F
InChIInChI=1S/C22H23FN4O2/c1-29-20-10-9-16(12-18(20)23)22(28)24-17-8-5-11-27(14-17)21-13-19(25-26-21)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,17H,5,8,11,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyKPHVTIHFOKEGIO-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.62
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide

3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide (PubChem CID 91887778) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
PubChem CID91887778
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)cc1F
InChIInChI=1S/C22H23FN4O2/c1-29-20-10-9-16(12-18(20)23)22(28)24-17-8-5-11-27(14-17)21-13-19(25-26-21)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,17H,5,8,11,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyKPHVTIHFOKEGIO-UHFFFAOYSA-N
XLogP3.62
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide (CID 91887778) is 3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide is COc1ccc(C(=O)NC2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The InChIKey is KPHVTIHFOKEGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-29-20-10-9-16(12-18(20)23)22(28)24-17-8-5-11-27(14-17)21-13-19(25-26-21)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,17H,5,8,11,14H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide has a molecular weight of 394.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide is sourced from PubChem (CID 91887778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).