3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide

C19H19F2N3O2 — CID 71786465

IUPAC3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2N3O2/c20-16-2-1-15(11-17(16)21)18(25)23-12-13-5-9-24(10-6-13)19(26)14-3-7-22-8-4-14/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,23,25)
InChIKeyRTXYUBVURPPLHO-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.64
Rot. Bonds4

About 3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide

3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide (PubChem CID 71786465) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
PubChem CID71786465
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2N3O2/c20-16-2-1-15(11-17(16)21)18(25)23-12-13-5-9-24(10-6-13)19(26)14-3-7-22-8-4-14/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,23,25)
InChIKeyRTXYUBVURPPLHO-UHFFFAOYSA-N
XLogP2.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide (CID 71786465) is 3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is RTXYUBVURPPLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c20-16-2-1-15(11-17(16)21)18(25)23-12-13-5-9-24(10-6-13)19(26)14-3-7-22-8-4-14/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,23,25).
What are the key properties of 3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide?
3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 359.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 71786465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).