3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide

C10H17BrN2O2 — CID 130647438

IUPAC3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CC(C)N1CCCC(Br)C1=O
InChIInChI=1S/C10H17BrN2O2/c1-7(6-9(14)12-2)13-5-3-4-8(11)10(13)15/h7-8H,3-6H2,1-2H3,(H,12,14)
InChIKeyIMGJYTGLJALGMW-UHFFFAOYSA-N
MW277.16 g/mol
LogP0.90
Rot. Bonds3

About 3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide

3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide (PubChem CID 130647438) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide
PubChem CID130647438
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CC(C)N1CCCC(Br)C1=O
InChIInChI=1S/C10H17BrN2O2/c1-7(6-9(14)12-2)13-5-3-4-8(11)10(13)15/h7-8H,3-6H2,1-2H3,(H,12,14)
InChIKeyIMGJYTGLJALGMW-UHFFFAOYSA-N
XLogP0.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide 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

3-bromo-1-(4,4-dimethylpentan-2-yl)piperidin-2-one
CID 131207467
(3S)-3-bromo-1-propan-2-ylpiperidin-2-one
CID 95354937
3-bromo-1-(4-hydroxybutan-2-yl)pyrrolidin-2-one
CID 83180918
3-bromo-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one
CID 79266958
3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one
CID 130729607
3-bromo-1-[1-(dimethylamino)propan-2-yl]pyrrolidin-2-one
CID 82949971
3-bromo-1-hex-1-yn-3-ylpiperidin-2-one
CID 106223844
2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide
CID 115357264
3-bromo-1-(1-morpholin-4-ylpropan-2-yl)pyrrolidin-2-one
CID 63788236
tert-butyl 3-bromo-2-oxopiperidine-1-carboxylate
CID 86276594
methyl (2S)-2-cyclohexyl-4-(methylamino)-4-oxobutanoate
CID 58938762
3-bromo-1-(2-methylprop-2-enyl)piperidin-2-one
CID 114619151

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide?
The IUPAC name of 3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide (CID 130647438) is 3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide.
What is the SMILES notation for 3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide?
The canonical SMILES for 3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide is CNC(=O)CC(C)N1CCCC(Br)C1=O.
What is the InChIKey of 3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide?
The InChIKey is IMGJYTGLJALGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-7(6-9(14)12-2)13-5-3-4-8(11)10(13)15/h7-8H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide?
3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide has a molecular weight of 277.16 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-oxopiperidin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 130647438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).