N-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide

C15H20BrN3O — CID 778107

IUPACN-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide
SMILESCC(=NNC(=O)CN1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O/c1-12(13-5-7-14(16)8-6-13)17-18-15(20)11-19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,18,20)
InChIKeyVLKJQHFPTPXQQN-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.78
Rot. Bonds4

About N-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide

N-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide (PubChem CID 778107) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide
PubChem CID778107
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide
SMILESCC(=NNC(=O)CN1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O/c1-12(13-5-7-14(16)8-6-13)17-18-15(20)11-19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,18,20)
InChIKeyVLKJQHFPTPXQQN-UHFFFAOYSA-N
XLogP2.78
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.78
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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Related Compounds

4,5-Dihydro-(1H)-pyrazole derivative, 3d
CID 11637551
N-[(E)-(4-bromophenyl)methylideneamino]-N',N'-diethyloxamide
CID 5333276
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]acetamide
CID 145965910
N'-(2-bromobenzylidene)-2-(1-piperidinyl)acetohydrazide
CID 6896887
2-[N'-(4-Bromo-benzylidene)-hydrazino]-N-tert-butyl-2-oxo-acetamide
CID 5339218
N'-(4-bromobenzylidene)-3-(1-piperidinyl)propanohydrazide
CID 5346912
2-(4-Benzyl-1-piperazinyl)-N'-(1-(3-bromophenyl)ethylidene)acetohydrazide
CID 9637702
2-(3-(4-Bromophenyl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 7663464
N-[(E)-(4-bromophenyl)methyleneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
CID 71466626
N'-(4-bromobenzylidene)-2-(4-thiomorpholinyl)acetohydrazide
CID 6894500
N'-[(E)-(5-bromo-2-fluorophenyl)methylidene]-1-methylpiperidine-2-carbohydrazide
CID 9600283
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
CID 71598179

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide (CID 778107) is N-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide is CC(=NNC(=O)CN1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide?
The InChIKey is VLKJQHFPTPXQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-12(13-5-7-14(16)8-6-13)17-18-15(20)11-19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,18,20).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide?
N-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide has a molecular weight of 338.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 778107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).