N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide

C₁₅H₂₁BrN₂O — CID 8930765

About N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide

N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide (PubChem CID 8930765) has the molecular formula C₁₅H₂₁BrN₂O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
• PubChem CID: 8930765
• Molecular Formula: C₁₅H₂₁BrN₂O
• Molecular Weight: 325.25 g/mol
• Exact Mass: 324.08
• IUPAC Name: N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
• SMILES: C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccccc2Br)C1
• InChI: InChI=1S/C15H21BrN2O/c1-11-7-12(2)9-18(8-11)10-15(19)17-14-6-4-3-5-13(14)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/t11-,12-/m0/s1
• InChIKey: NZLBNYQLGAJOJU-RYUDHWBXSA-N
• XLogP: 3.37
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.25
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?

The IUPAC name of N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide (CID 8930765) is N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide.

What is the SMILES notation for N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?

The canonical SMILES for N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide is C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccccc2Br)C1.

What is the InChIKey of N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?

The InChIKey is NZLBNYQLGAJOJU-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-7-12(2)9-18(8-11)10-15(19)17-14-6-4-3-5-13(14)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/t11-,12-/m0/s1.

What are the key properties of N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide?

N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide has a molecular weight of 325.25 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8930765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8930765 — identifiers, structure, computed properties (public domain)

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