4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide

C14H19BrN2O — CID 40642612

IUPAC4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide
SMILESC[C@H]1CCC[C@H](C)N1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-10-4-3-5-11(2)17(10)16-14(18)12-6-8-13(15)9-7-12/h6-11H,3-5H2,1-2H3,(H,16,18)/t10-,11-/m0/s1
InChIKeyUTGZDKZTBGAZPY-QWRGUYRKSA-N
MW311.22 g/mol
LogP3.36
Rot. Bonds2

About 4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide

4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide (PubChem CID 40642612) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide
PubChem CID40642612
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide
SMILESC[C@H]1CCC[C@H](C)N1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-10-4-3-5-11(2)17(10)16-14(18)12-6-8-13(15)9-7-12/h6-11H,3-5H2,1-2H3,(H,16,18)/t10-,11-/m0/s1
InChIKeyUTGZDKZTBGAZPY-QWRGUYRKSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]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-(2,6-dimethylpiperidin-1-yl)-4-hydroxybenzamide
CID 78909911
N-(2,6-dimethylpiperidin-1-yl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 83018836
5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 78906628
3-bromo-5-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide
CID 107953127
2,6-dichloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
CID 78907821
N-(2,6-dimethylpiperidin-1-yl)-1H-pyrazole-5-carboxamide
CID 141156891
2-bromo-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzamide
CID 78911860
N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-6-carboxamide
CID 83023464
3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide
CID 83003513
2,5-dibromo-N-(2,6-dimethylpiperidin-1-yl)thiophene-3-carboxamide
CID 107962323
N-(2,6-dimethylpiperidin-1-yl)-5-hydroxypyridine-3-carboxamide
CID 83016419
N-(2,6-dimethylpiperidin-1-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 83015630

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide?
The IUPAC name of 4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide (CID 40642612) is 4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide?
The canonical SMILES for 4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide is C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide?
The InChIKey is UTGZDKZTBGAZPY-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-4-3-5-11(2)17(10)16-14(18)12-6-8-13(15)9-7-12/h6-11H,3-5H2,1-2H3,(H,16,18)/t10-,11-/m0/s1.
What are the key properties of 4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide?
4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide has a molecular weight of 311.22 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide is sourced from PubChem (CID 40642612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).