N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide

C15H21F2N3O — CID 83015630

IUPACN-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NN2C(C)CCCC2C)cc1F
InChIInChI=1S/C15H21F2N3O/c1-9-5-4-6-10(2)20(9)19-15(21)11-7-12(16)14(18-3)13(17)8-11/h7-10,18H,4-6H2,1-3H3,(H,19,21)
InChIKeyAZIIEEYVBPGPSS-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.91
Rot. Bonds3

About N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide

N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide (PubChem CID 83015630) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide
PubChem CID83015630
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NN2C(C)CCCC2C)cc1F
InChIInChI=1S/C15H21F2N3O/c1-9-5-4-6-10(2)20(9)19-15(21)11-7-12(16)14(18-3)13(17)8-11/h7-10,18H,4-6H2,1-3H3,(H,19,21)
InChIKeyAZIIEEYVBPGPSS-UHFFFAOYSA-N
XLogP2.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
CID 78907821
N-(2,6-dimethylpiperidin-1-yl)-4-hydroxybenzamide
CID 78909911
N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187586
3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide
CID 107953127
4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide
CID 40642612
N-(2,6-dimethylpiperidin-1-yl)-5-hydroxypyridine-3-carboxamide
CID 83016419
5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 78906628
3,5-difluoro-4-(methylamino)-N-(1-methylcyclopentyl)benzamide
CID 64688484
[3,5-difluoro-4-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960474
[3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone
CID 63626543
1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea
CID 27235394
3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185967

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide (CID 83015630) is N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide is CNc1c(F)cc(C(=O)NN2C(C)CCCC2C)cc1F.
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide?
The InChIKey is AZIIEEYVBPGPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-9-5-4-6-10(2)20(9)19-15(21)11-7-12(16)14(18-3)13(17)8-11/h7-10,18H,4-6H2,1-3H3,(H,19,21).
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide?
N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide has a molecular weight of 297.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide is sourced from PubChem (CID 83015630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).