2-(4-methylpiperazine-1-carbonyl)benzoyl azide

C13H15N5O2 — CID 162228609

IUPAC2-(4-methylpiperazine-1-carbonyl)benzoyl azide
SMILESCN1CCN(C(=O)c2ccccc2C(=O)N=[N+]=[N-])CC1
InChIInChI=1S/C13H15N5O2/c1-17-6-8-18(9-7-17)13(20)11-5-3-2-4-10(11)12(19)15-16-14/h2-5H,6-9H2,1H3
InChIKeyZVCJFLYNXGVISL-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.52
Rot. Bonds2

About 2-(4-methylpiperazine-1-carbonyl)benzoyl azide

2-(4-methylpiperazine-1-carbonyl)benzoyl azide (PubChem CID 162228609) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1-carbonyl)benzoyl azide.

Molecular Properties

Compound Name2-(4-methylpiperazine-1-carbonyl)benzoyl azide
PubChem CID162228609
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-(4-methylpiperazine-1-carbonyl)benzoyl azide
SMILESCN1CCN(C(=O)c2ccccc2C(=O)N=[N+]=[N-])CC1
InChIInChI=1S/C13H15N5O2/c1-17-6-8-18(9-7-17)13(20)11-5-3-2-4-10(11)12(19)15-16-14/h2-5H,6-9H2,1H3
InChIKeyZVCJFLYNXGVISL-UHFFFAOYSA-N
XLogP1.52
TPSA89.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazine-1-carbonyl)benzoyl azide?
The IUPAC name of 2-(4-methylpiperazine-1-carbonyl)benzoyl azide (CID 162228609) is 2-(4-methylpiperazine-1-carbonyl)benzoyl azide.
What is the SMILES notation for 2-(4-methylpiperazine-1-carbonyl)benzoyl azide?
The canonical SMILES for 2-(4-methylpiperazine-1-carbonyl)benzoyl azide is CN1CCN(C(=O)c2ccccc2C(=O)N=[N+]=[N-])CC1.
What is the InChIKey of 2-(4-methylpiperazine-1-carbonyl)benzoyl azide?
The InChIKey is ZVCJFLYNXGVISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-17-6-8-18(9-7-17)13(20)11-5-3-2-4-10(11)12(19)15-16-14/h2-5H,6-9H2,1H3.
What are the key properties of 2-(4-methylpiperazine-1-carbonyl)benzoyl azide?
2-(4-methylpiperazine-1-carbonyl)benzoyl azide has a molecular weight of 273.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1-carbonyl)benzoyl azide is sourced from PubChem (CID 162228609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).