1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide

C12H21BrN2O2 — CID 43578941

IUPAC1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C(Br)C(C)C)CC1
InChIInChI=1S/C12H21BrN2O2/c1-8(2)10(13)12(17)15-6-4-9(5-7-15)11(16)14-3/h8-10H,4-7H2,1-3H3,(H,14,16)
InChIKeyDEFSPZMIFDOGGC-UHFFFAOYSA-N
MW305.22 g/mol
LogP1.39
Rot. Bonds3

About 1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide

1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 43578941) has the molecular formula C12H21BrN2O2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide
PubChem CID43578941
Molecular FormulaC12H21BrN2O2
Molecular Weight305.22 g/mol
Exact Mass304.08
IUPAC Name1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C(Br)C(C)C)CC1
InChIInChI=1S/C12H21BrN2O2/c1-8(2)10(13)12(17)15-6-4-9(5-7-15)11(16)14-3/h8-10H,4-7H2,1-3H3,(H,14,16)
InChIKeyDEFSPZMIFDOGGC-UHFFFAOYSA-N
XLogP1.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 51.39
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

1-(2-bromo-3-methylbutanoyl)-N-ethylpiperidine-4-carboxamide
CID 54875467
1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide
CID 76924824
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
1-(2,2-diphenylacetyl)-N-methylpiperidine-4-carboxamide
CID 110350749
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-methylpiperidine-4-carboxamide
CID 55520284
2-bromo-1-(3-methoxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 103531419
N-(2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 43418235
N-methyl-1-sulfanylpiperidine-4-carboxamide
CID 88912319
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111
methyl N-[(2S)-3-methyl-1-[(3R)-3-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 90136532

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide (CID 43578941) is 1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)C(Br)C(C)C)CC1.
What is the InChIKey of 1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is DEFSPZMIFDOGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O2/c1-8(2)10(13)12(17)15-6-4-9(5-7-15)11(16)14-3/h8-10H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide?
1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 305.22 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 43578941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).