4-azido-N-(2-piperidin-1-ylethyl)benzamide

C14H19N5O — CID 86629800

IUPAC4-azido-N-(2-piperidin-1-ylethyl)benzamide
SMILES[N-]=[N+]=Nc1ccc(C(=O)NCCN2CCCCC2)cc1
InChIInChI=1S/C14H19N5O/c15-18-17-13-6-4-12(5-7-13)14(20)16-8-11-19-9-2-1-3-10-19/h4-7H,1-3,8-11H2,(H,16,20)
InChIKeyJRRGSRLGRQVEDT-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.84
Rot. Bonds5

About 4-azido-N-(2-piperidin-1-ylethyl)benzamide

4-azido-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 86629800) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-azido-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-azido-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID86629800
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-azido-N-(2-piperidin-1-ylethyl)benzamide
SMILES[N-]=[N+]=Nc1ccc(C(=O)NCCN2CCCCC2)cc1
InChIInChI=1S/C14H19N5O/c15-18-17-13-6-4-12(5-7-13)14(20)16-8-11-19-9-2-1-3-10-19/h4-7H,1-3,8-11H2,(H,16,20)
InChIKeyJRRGSRLGRQVEDT-UHFFFAOYSA-N
XLogP2.84
TPSA81.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 86629801
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
4-amino-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]benzamide
CID 166390762
N-(2-piperidin-1-ylethyl)-4-sulfamoylbenzamide
CID 68595243
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
N-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998667
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 166746759
3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide
CID 104627715
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 168519610
4-bromo-N-[3-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propyl]benzamide
CID 111415873

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 4-azido-N-(2-piperidin-1-ylethyl)benzamide (CID 86629800) is 4-azido-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-azido-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 4-azido-N-(2-piperidin-1-ylethyl)benzamide is [N-]=[N+]=Nc1ccc(C(=O)NCCN2CCCCC2)cc1.
What is the InChIKey of 4-azido-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is JRRGSRLGRQVEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-18-17-13-6-4-12(5-7-13)14(20)16-8-11-19-9-2-1-3-10-19/h4-7H,1-3,8-11H2,(H,16,20).
What are the key properties of 4-azido-N-(2-piperidin-1-ylethyl)benzamide?
4-azido-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 86629800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).