N-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide

C8H13BrF2N2O2 — CID 69266893

IUPACN-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide
SMILESO=C(NCBr)N1CCCC(OC(F)F)C1
InChIInChI=1S/C8H13BrF2N2O2/c9-5-12-8(14)13-3-1-2-6(4-13)15-7(10)11/h6-7H,1-5H2,(H,12,14)
InChIKeyHHVBIWJQZHYJRE-UHFFFAOYSA-N
MW287.10 g/mol
LogP1.75
Rot. Bonds3

About N-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide

N-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide (PubChem CID 69266893) has the molecular formula C8H13BrF2N2O2 and a molecular weight of 287.10 g/mol. Its IUPAC name is N-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide
PubChem CID69266893
Molecular FormulaC8H13BrF2N2O2
Molecular Weight287.10 g/mol
Exact Mass286.01
IUPAC NameN-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide
SMILESO=C(NCBr)N1CCCC(OC(F)F)C1
InChIInChI=1S/C8H13BrF2N2O2/c9-5-12-8(14)13-3-1-2-6(4-13)15-7(10)11/h6-7H,1-5H2,(H,12,14)
InChIKeyHHVBIWJQZHYJRE-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide?
The IUPAC name of N-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide (CID 69266893) is N-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide is O=C(NCBr)N1CCCC(OC(F)F)C1.
What is the InChIKey of N-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide?
The InChIKey is HHVBIWJQZHYJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF2N2O2/c9-5-12-8(14)13-3-1-2-6(4-13)15-7(10)11/h6-7H,1-5H2,(H,12,14).
What are the key properties of N-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide?
N-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide has a molecular weight of 287.10 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-3-(difluoromethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 69266893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).