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

C15H22BrN2O+ — CID 8930273

IUPACN-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O/c1-11-6-12(2)9-18(8-11)10-15(19)17-14-5-3-4-13(16)7-14/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,17,19)/p+1/t11-,12-/m0/s1
InChIKeyVUMKFCSFHXPLML-RYUDHWBXSA-O
MW326.26 g/mol
LogP1.95
Rot. Bonds3

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

N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide (PubChem CID 8930273) has the molecular formula C15H22BrN2O+ and a molecular weight of 326.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
PubChem CID8930273
Molecular FormulaC15H22BrN2O+
Molecular Weight326.26 g/mol
Exact Mass325.09
IUPAC NameN-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O/c1-11-6-12(2)9-18(8-11)10-15(19)17-14-5-3-4-13(16)7-14/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,17,19)/p+1/t11-,12-/m0/s1
InChIKeyVUMKFCSFHXPLML-RYUDHWBXSA-O
XLogP1.95
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide 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-(3-acetylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930165
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 8541550
3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
CID 7343528
N-(1,3-benzodioxol-5-yl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930384
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540741
N-(3-bromophenyl)-2-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]acetamide
CID 7303037
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8931075
N-(3,4-difluorophenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8540767
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461
2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 8904622
N-[4-(difluoromethoxy)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930997
N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942837

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide (CID 8930273) is N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide is C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2cccc(Br)c2)C1.
What is the InChIKey of N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is VUMKFCSFHXPLML-RYUDHWBXSA-O. The full InChI is InChI=1S/C15H21BrN2O/c1-11-6-12(2)9-18(8-11)10-15(19)17-14-5-3-4-13(16)7-14/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,17,19)/p+1/t11-,12-/m0/s1.
What are the key properties of N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 326.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8930273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).