1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide

C14H27BrN2O — CID 103197800

IUPAC1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(CBr)C(C)(C)C)C1
InChIInChI=1S/C14H27BrN2O/c1-14(2,3)12(8-15)10-17-7-5-6-11(9-17)13(18)16-4/h11-12H,5-10H2,1-4H3,(H,16,18)
InChIKeyUZGNXXPHQHEEIL-UHFFFAOYSA-N
MW319.29 g/mol
LogP2.50
Rot. Bonds4

About 1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide

1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103197800) has the molecular formula C14H27BrN2O and a molecular weight of 319.29 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide
PubChem CID103197800
Molecular FormulaC14H27BrN2O
Molecular Weight319.29 g/mol
Exact Mass318.13
IUPAC Name1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(CBr)C(C)(C)C)C1
InChIInChI=1S/C14H27BrN2O/c1-14(2,3)12(8-15)10-17-7-5-6-11(9-17)13(18)16-4/h11-12H,5-10H2,1-4H3,(H,16,18)
InChIKeyUZGNXXPHQHEEIL-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 52.50
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

methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 103196579
1-(3-butoxy-2-hydroxypropyl)-N-methylpiperidine-3-carboxamide
CID 107263994
1-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 143767660
1-tert-butyl-N-methylpiperidine-3-carboxamide
CID 165376853
1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide
CID 106710159
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103670655
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113234306
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide
CID 104870234
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 111113624
1-[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 103194660

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide (CID 103197800) is 1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(CC(CBr)C(C)(C)C)C1.
What is the InChIKey of 1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is UZGNXXPHQHEEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrN2O/c1-14(2,3)12(8-15)10-17-7-5-6-11(9-17)13(18)16-4/h11-12H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide?
1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 319.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103197800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).