3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C24H25FN4O3 — CID 42286858

IUPAC3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1C
InChIInChI=1S/C24H25FN4O3/c1-16-14-18(6-7-21(16)32-2)24(31)28-12-9-20(10-13-28)29-22(8-11-26-29)27-23(30)17-4-3-5-19(25)15-17/h3-8,11,14-15,20H,9-10,12-13H2,1-2H3,(H,27,30)
InChIKeyXXMSGPPDXQGKRU-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.07
Rot. Bonds5

About 3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide

3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 42286858) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID42286858
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1C
InChIInChI=1S/C24H25FN4O3/c1-16-14-18(6-7-21(16)32-2)24(31)28-12-9-20(10-13-28)29-22(8-11-26-29)27-23(30)17-4-3-5-19(25)15-17/h3-8,11,14-15,20H,9-10,12-13H2,1-2H3,(H,27,30)
InChIKeyXXMSGPPDXQGKRU-UHFFFAOYSA-N
XLogP4.07
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 42286858) is 3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)N2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1C.
What is the InChIKey of 3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is XXMSGPPDXQGKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-16-14-18(6-7-21(16)32-2)24(31)28-12-9-20(10-13-28)29-22(8-11-26-29)27-23(30)17-4-3-5-19(25)15-17/h3-8,11,14-15,20H,9-10,12-13H2,1-2H3,(H,27,30).
What are the key properties of 3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 436.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[1-(4-methoxy-3-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 42286858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).