N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide

C15H22FN3O — CID 114505924

IUPACN-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)NC1CCN(C)CC1C
InChIInChI=1S/C15H22FN3O/c1-10-9-19(3)8-7-13(10)18-15(20)11-5-4-6-12(16)14(11)17-2/h4-6,10,13,17H,7-9H2,1-3H3,(H,18,20)
InChIKeyZGNHMOXRFPXOMA-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.94
Rot. Bonds3

About N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide

N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide (PubChem CID 114505924) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide
PubChem CID114505924
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)NC1CCN(C)CC1C
InChIInChI=1S/C15H22FN3O/c1-10-9-19(3)8-7-13(10)18-15(20)11-5-4-6-12(16)14(11)17-2/h4-6,10,13,17H,7-9H2,1-3H3,(H,18,20)
InChIKeyZGNHMOXRFPXOMA-UHFFFAOYSA-N
XLogP1.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
CID 114504406
3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661754
3-fluoro-2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80732424
N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide
CID 114505992
2-amino-N-(1,3-dimethylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 105387679
3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 62660307
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide
CID 114502840
6-chloro-N-(1,3-dimethylpiperidin-4-yl)pyridine-2-carboxamide
CID 115600288
2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 115765983
N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide
CID 107036333
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
CID 113464159

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide (CID 114505924) is N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide is CNc1c(F)cccc1C(=O)NC1CCN(C)CC1C.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide?
The InChIKey is ZGNHMOXRFPXOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10-9-19(3)8-7-13(10)18-15(20)11-5-4-6-12(16)14(11)17-2/h4-6,10,13,17H,7-9H2,1-3H3,(H,18,20).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide?
N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide has a molecular weight of 279.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide is sourced from PubChem (CID 114505924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).