3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide

C18H26FN3O2 — CID 78878509

IUPAC3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
SMILESCC1CCCN(CCCNC(=O)CNC(=O)c2cccc(F)c2)C1
InChIInChI=1S/C18H26FN3O2/c1-14-5-3-9-22(13-14)10-4-8-20-17(23)12-21-18(24)15-6-2-7-16(19)11-15/h2,6-7,11,14H,3-5,8-10,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyLWDKDUNECAPNOW-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.79
Rot. Bonds7

About 3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide

3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide (PubChem CID 78878509) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
PubChem CID78878509
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
SMILESCC1CCCN(CCCNC(=O)CNC(=O)c2cccc(F)c2)C1
InChIInChI=1S/C18H26FN3O2/c1-14-5-3-9-22(13-14)10-4-8-20-17(23)12-21-18(24)15-6-2-7-16(19)11-15/h2,6-7,11,14H,3-5,8-10,12-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyLWDKDUNECAPNOW-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
CID 133231319
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
N-[3-[(3-fluorobenzoyl)amino]propyl]-3-methylpyrrolidine-1-carboxamide
CID 86937809
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide
CID 86990889
3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide
CID 86990789
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 94119670
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 107299544

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide (CID 78878509) is 3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide is CC1CCCN(CCCNC(=O)CNC(=O)c2cccc(F)c2)C1.
What is the InChIKey of 3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide?
The InChIKey is LWDKDUNECAPNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-14-5-3-9-22(13-14)10-4-8-20-17(23)12-21-18(24)15-6-2-7-16(19)11-15/h2,6-7,11,14H,3-5,8-10,12-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide?
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide has a molecular weight of 335.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 78878509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).