N-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide

C14H18BrN3O — CID 6896887

IUPACN-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)N/N=C/c1ccccc1Br
InChIInChI=1S/C14H18BrN3O/c15-13-7-3-2-6-12(13)10-16-17-14(19)11-18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,17,19)/b16-10+
InChIKeyGTZCGDVJMOPCIN-MHWRWJLKSA-N
MW324.22 g/mol
LogP2.39
Rot. Bonds4

About N-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide

N-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide (PubChem CID 6896887) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide
PubChem CID6896887
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC NameN-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)N/N=C/c1ccccc1Br
InChIInChI=1S/C14H18BrN3O/c15-13-7-3-2-6-12(13)10-16-17-14(19)11-18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,17,19)/b16-10+
InChIKeyGTZCGDVJMOPCIN-MHWRWJLKSA-N
XLogP2.39
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide (CID 6896887) is N-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)N/N=C/c1ccccc1Br.
What is the InChIKey of N-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The InChIKey is GTZCGDVJMOPCIN-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-13-7-3-2-6-12(13)10-16-17-14(19)11-18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide?
N-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide has a molecular weight of 324.22 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromophenyl)methylideneamino]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 6896887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).