4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide

C18H26FN3O2 — CID 97201295

IUPAC4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
SMILESCN1CCCC[C@H]1CCC(=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2/c1-22-13-3-2-4-16(22)9-10-17(23)20-11-12-21-18(24)14-5-7-15(19)8-6-14/h5-8,16H,2-4,9-13H2,1H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyIGGAGJJAVMXUHY-INIZCTEOSA-N
MW335.42 g/mol
LogP1.94
Rot. Bonds7

About 4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide

4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide (PubChem CID 97201295) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
PubChem CID97201295
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
SMILESCN1CCCC[C@H]1CCC(=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2/c1-22-13-3-2-4-16(22)9-10-17(23)20-11-12-21-18(24)14-5-7-15(19)8-6-14/h5-8,16H,2-4,9-13H2,1H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyIGGAGJJAVMXUHY-INIZCTEOSA-N
XLogP1.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)-3-(1-methylpiperidin-2-yl)propanamide
CID 110865271
N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97197075
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72890403
N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97204902
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 110865151
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 110867653
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide
CID 94646293
3-(1-methylpiperidin-2-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
CID 72885704
N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72901526

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide (CID 97201295) is 4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide is CN1CCCC[C@H]1CCC(=O)NCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide?
The InChIKey is IGGAGJJAVMXUHY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-22-13-3-2-4-16(22)9-10-17(23)20-11-12-21-18(24)14-5-7-15(19)8-6-14/h5-8,16H,2-4,9-13H2,1H3,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of 4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide?
4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide has a molecular weight of 335.42 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide is sourced from PubChem (CID 97201295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).