3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide

C25H24FN3O2 — CID 95809940

IUPAC3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)n2)c1
InChIInChI=1S/C25H24FN3O2/c26-21-11-9-17(10-12-21)14-24(30)29-13-3-6-20(16-29)23-8-2-7-22(28-23)18-4-1-5-19(15-18)25(27)31/h1-2,4-5,7-12,15,20H,3,6,13-14,16H2,(H2,27,31)/t20-/m0/s1
InChIKeyGCJGFSIRPKSORL-FQEVSTJZSA-N
MW417.48 g/mol
LogP3.94
Rot. Bonds5

About 3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide

3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide (PubChem CID 95809940) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide
PubChem CID95809940
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)n2)c1
InChIInChI=1S/C25H24FN3O2/c26-21-11-9-17(10-12-21)14-24(30)29-13-3-6-20(16-29)23-8-2-7-22(28-23)18-4-1-5-19(15-18)25(27)31/h1-2,4-5,7-12,15,20H,3,6,13-14,16H2,(H2,27,31)/t20-/m0/s1
InChIKeyGCJGFSIRPKSORL-FQEVSTJZSA-N
XLogP3.94
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809769
2-(4-fluorophenyl)-1-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249679
1-[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809899
3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
CID 95809420
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249683
3-[6-[(3S)-1-(1-methylpiperidine-4-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 95810732
1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809788
1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 95809586
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
2-(dimethylamino)-1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946413
3-[6-[1-(dimethylsulfamoyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249555

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide (CID 95809940) is 3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide is NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)n2)c1.
What is the InChIKey of 3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide?
The InChIKey is GCJGFSIRPKSORL-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H24FN3O2/c26-21-11-9-17(10-12-21)14-24(30)29-13-3-6-20(16-29)23-8-2-7-22(28-23)18-4-1-5-19(15-18)25(27)31/h1-2,4-5,7-12,15,20H,3,6,13-14,16H2,(H2,27,31)/t20-/m0/s1.
What are the key properties of 3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide?
3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide has a molecular weight of 417.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 95809940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).