N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide

C10H17BrN2O2 — CID 163781928

IUPACN-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide
SMILESCC(=O)N1CCC[C@H](N(C)C(=O)CBr)C1
InChIInChI=1S/C10H17BrN2O2/c1-8(14)13-5-3-4-9(7-13)12(2)10(15)6-11/h9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyMPHPUOQFWIYASM-VIFPVBQESA-N
MW277.16 g/mol
LogP0.85
Rot. Bonds2

About N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide

N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide (PubChem CID 163781928) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide
PubChem CID163781928
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC NameN-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide
SMILESCC(=O)N1CCC[C@H](N(C)C(=O)CBr)C1
InChIInChI=1S/C10H17BrN2O2/c1-8(14)13-5-3-4-9(7-13)12(2)10(15)6-11/h9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyMPHPUOQFWIYASM-VIFPVBQESA-N
XLogP0.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide 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-acetylpiperidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 154878066
tert-butyl 3-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate
CID 155390564
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
N-(1-acetylpiperidin-4-yl)-2-hydroxy-N-methylacetamide
CID 70917012
methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid
CID 68880080
2-[[(3S)-1-acetylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565402
1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 59751401
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide?
The IUPAC name of N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide (CID 163781928) is N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide.
What is the SMILES notation for N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide?
The canonical SMILES for N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide is CC(=O)N1CCC[C@H](N(C)C(=O)CBr)C1.
What is the InChIKey of N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide?
The InChIKey is MPHPUOQFWIYASM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-8(14)13-5-3-4-9(7-13)12(2)10(15)6-11/h9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide?
N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide has a molecular weight of 277.16 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-acetylpiperidin-3-yl]-2-bromo-N-methylacetamide is sourced from PubChem (CID 163781928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).