3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide

C23H28FN3O3 — CID 78784235

IUPAC3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)CNC(=O)c2cccc(F)c2)N2CCCCC2)cc1
InChIInChI=1S/C23H28FN3O3/c1-30-20-10-8-17(9-11-20)21(27-12-3-2-4-13-27)15-25-22(28)16-26-23(29)18-6-5-7-19(24)14-18/h5-11,14,21H,2-4,12-13,15-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyLUCCYLZNJXCVAO-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.91
Rot. Bonds8

About 3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide

3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 78784235) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is 3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID78784235
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)CNC(=O)c2cccc(F)c2)N2CCCCC2)cc1
InChIInChI=1S/C23H28FN3O3/c1-30-20-10-8-17(9-11-20)21(27-12-3-2-4-13-27)15-25-22(28)16-26-23(29)18-6-5-7-19(24)14-18/h5-11,14,21H,2-4,12-13,15-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyLUCCYLZNJXCVAO-UHFFFAOYSA-N
XLogP2.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 43006555
2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 134036254
3-(dimethylsulfamoyl)-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 24544194
3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 43006598
N-[2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylethyl]-3-fluorobenzamide
CID 112506893
N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 43006599
3-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 2997566
N-[2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 27769915
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrol-1-ylbenzamide
CID 25340437
3-[(4-fluorophenyl)sulfamoyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 27771815
3-(azepan-1-ylsulfonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 25350857

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide (CID 78784235) is 3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide is COc1ccc(C(CNC(=O)CNC(=O)c2cccc(F)c2)N2CCCCC2)cc1.
What is the InChIKey of 3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is LUCCYLZNJXCVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-30-20-10-8-17(9-11-20)21(27-12-3-2-4-13-27)15-25-22(28)16-26-23(29)18-6-5-7-19(24)14-18/h5-11,14,21H,2-4,12-13,15-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 413.49 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 78784235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).