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

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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).