3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide

C15H22FN3O — CID 62661754

IUPAC3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCNc1c(F)cccc1C(=O)NCC1CCN(C)CC1
InChIInChI=1S/C15H22FN3O/c1-17-14-12(4-3-5-13(14)16)15(20)18-10-11-6-8-19(2)9-7-11/h3-5,11,17H,6-10H2,1-2H3,(H,18,20)
InChIKeyGMJHNIMAJLPVKY-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.94
Rot. Bonds4

About 3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide

3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 62661754) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide
PubChem CID62661754
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCNc1c(F)cccc1C(=O)NCC1CCN(C)CC1
InChIInChI=1S/C15H22FN3O/c1-17-14-12(4-3-5-13(14)16)15(20)18-10-11-6-8-19(2)9-7-11/h3-5,11,17H,6-10H2,1-2H3,(H,18,20)
InChIKeyGMJHNIMAJLPVKY-UHFFFAOYSA-N
XLogP1.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 62660266
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
CID 113464159
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide
CID 114505924
2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62661731
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662231
2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655067
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
4-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 51093597
3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 62991871

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide (CID 62661754) is 3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide is CNc1c(F)cccc1C(=O)NCC1CCN(C)CC1.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is GMJHNIMAJLPVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-17-14-12(4-3-5-13(14)16)15(20)18-10-11-6-8-19(2)9-7-11/h3-5,11,17H,6-10H2,1-2H3,(H,18,20).
What are the key properties of 3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 279.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 62661754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).