2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide

C8H14Br2N2O — CID 141011874

IUPAC2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(C(Br)(Br)C(N)=O)CC1
InChIInChI=1S/C8H14Br2N2O/c1-12-4-2-6(3-5-12)8(9,10)7(11)13/h6H,2-5H2,1H3,(H2,11,13)
InChIKeyRHLBYDRUJRUEDH-UHFFFAOYSA-N
MW314.02 g/mol
LogP1.30
Rot. Bonds2

About 2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide

2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 141011874) has the molecular formula C8H14Br2N2O and a molecular weight of 314.02 g/mol. Its IUPAC name is 2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID141011874
Molecular FormulaC8H14Br2N2O
Molecular Weight314.02 g/mol
Exact Mass311.95
IUPAC Name2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(C(Br)(Br)C(N)=O)CC1
InChIInChI=1S/C8H14Br2N2O/c1-12-4-2-6(3-5-12)8(9,10)7(11)13/h6H,2-5H2,1H3,(H2,11,13)
InChIKeyRHLBYDRUJRUEDH-UHFFFAOYSA-N
XLogP1.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.02
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(1-methylpiperidin-4-yl)propanoic acid
CID 82602342
dicyclopropyl-(1-methylpiperidin-4-yl)methanol
CID 110182779
2-(1-methylpiperidin-4-yl)ethyl carbamate
CID 141210995
methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate
CID 116963121
[4-(1-methylpiperidin-4-yl)cyclohexyl] carbamate
CID 175109270
1-methylazecane-6-carboxamide
CID 121218409
1-methyl-4-(2-nitrosopropan-2-yl)piperidine
CID 170382525
N-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 527022
2-amino-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanamide
CID 55174419
(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 91173191
2-amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanamide
CID 63927660
CID 91386086
CID 91386086

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide (CID 141011874) is 2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide is CN1CCC(C(Br)(Br)C(N)=O)CC1.
What is the InChIKey of 2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is RHLBYDRUJRUEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Br2N2O/c1-12-4-2-6(3-5-12)8(9,10)7(11)13/h6H,2-5H2,1H3,(H2,11,13).
What are the key properties of 2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide?
2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 314.02 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 141011874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).