2-bromo-3-methyl-N-piperidin-1-ylbutanamide

C10H19BrN2O — CID 83012008

IUPAC2-bromo-3-methyl-N-piperidin-1-ylbutanamide
SMILESCC(C)C(Br)C(=O)NN1CCCCC1
InChIInChI=1S/C10H19BrN2O/c1-8(2)9(11)10(14)12-13-6-4-3-5-7-13/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyXDJHLUSLGUEPSG-UHFFFAOYSA-N
MW263.18 g/mol
LogP1.92
Rot. Bonds3

About 2-bromo-3-methyl-N-piperidin-1-ylbutanamide

2-bromo-3-methyl-N-piperidin-1-ylbutanamide (PubChem CID 83012008) has the molecular formula C10H19BrN2O and a molecular weight of 263.18 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-piperidin-1-ylbutanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-piperidin-1-ylbutanamide
PubChem CID83012008
Molecular FormulaC10H19BrN2O
Molecular Weight263.18 g/mol
Exact Mass262.07
IUPAC Name2-bromo-3-methyl-N-piperidin-1-ylbutanamide
SMILESCC(C)C(Br)C(=O)NN1CCCCC1
InChIInChI=1S/C10H19BrN2O/c1-8(2)9(11)10(14)12-13-6-4-3-5-7-13/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyXDJHLUSLGUEPSG-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-piperidin-1-ylbutanamide?
The IUPAC name of 2-bromo-3-methyl-N-piperidin-1-ylbutanamide (CID 83012008) is 2-bromo-3-methyl-N-piperidin-1-ylbutanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-piperidin-1-ylbutanamide?
The canonical SMILES for 2-bromo-3-methyl-N-piperidin-1-ylbutanamide is CC(C)C(Br)C(=O)NN1CCCCC1.
What is the InChIKey of 2-bromo-3-methyl-N-piperidin-1-ylbutanamide?
The InChIKey is XDJHLUSLGUEPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O/c1-8(2)9(11)10(14)12-13-6-4-3-5-7-13/h8-9H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 2-bromo-3-methyl-N-piperidin-1-ylbutanamide?
2-bromo-3-methyl-N-piperidin-1-ylbutanamide has a molecular weight of 263.18 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-piperidin-1-ylbutanamide is sourced from PubChem (CID 83012008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).