1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide

C10H17BrN2O2 — CID 82109099

IUPAC1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(Br)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H17BrN2O2/c1-10(2,11)9(15)13-5-3-7(4-6-13)8(12)14/h7H,3-6H2,1-2H3,(H2,12,14)
InChIKeyUVRQIYHOIBDXKH-UHFFFAOYSA-N
MW277.16 g/mol
LogP0.88
Rot. Bonds2

About 1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide

1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 82109099) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID82109099
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(Br)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H17BrN2O2/c1-10(2,11)9(15)13-5-3-7(4-6-13)8(12)14/h7H,3-6H2,1-2H3,(H2,12,14)
InChIKeyUVRQIYHOIBDXKH-UHFFFAOYSA-N
XLogP0.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 50.88
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-2-methylpropanoyl)azetidine-3-carboxamide
CID 131048709
1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide
CID 17311906
2-bromo-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328312
1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
CID 64683539
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
2-bromo-1-(3-cyclopropylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 130871463
2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid
CID 79256496
1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide
CID 119137408
1-(4-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575168
2-(4-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536501
1-(3,3-dimethylbutyl)piperidine-4-carboxamide
CID 20792956
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328660

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide (CID 82109099) is 1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide is CC(C)(Br)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is UVRQIYHOIBDXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-10(2,11)9(15)13-5-3-7(4-6-13)8(12)14/h7H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of 1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide?
1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 277.16 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 82109099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).