2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

C17H25FN2O — CID 80710568

IUPAC2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1cccc(C(=O)NCCCN2CCCCC2C)c1F
InChIInChI=1S/C17H25FN2O/c1-13-7-5-9-15(16(13)18)17(21)19-10-6-12-20-11-4-3-8-14(20)2/h5,7,9,14H,3-4,6,8,10-12H2,1-2H3,(H,19,21)
InChIKeyCUMDJCCKBGZUOY-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.13
Rot. Bonds5

About 2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 80710568) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
PubChem CID80710568
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1cccc(C(=O)NCCCN2CCCCC2C)c1F
InChIInChI=1S/C17H25FN2O/c1-13-7-5-9-15(16(13)18)17(21)19-10-6-12-20-11-4-3-8-14(20)2/h5,7,9,14H,3-4,6,8,10-12H2,1-2H3,(H,19,21)
InChIKeyCUMDJCCKBGZUOY-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 47040952
2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221514
2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 134003012
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81480197
5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473171
2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide
CID 55717527
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 94115261
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
N-[4-(2-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55811546

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (CID 80710568) is 2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is Cc1cccc(C(=O)NCCCN2CCCCC2C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is CUMDJCCKBGZUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13-7-5-9-15(16(13)18)17(21)19-10-6-12-20-11-4-3-8-14(20)2/h5,7,9,14H,3-4,6,8,10-12H2,1-2H3,(H,19,21).
What are the key properties of 2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 292.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 80710568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).