4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

C14H20N6O — CID 86629801

IUPAC4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCN1CCN(CCNC(=O)c2ccc(N=[N+]=[N-])cc2)CC1
InChIInChI=1S/C14H20N6O/c1-19-8-10-20(11-9-19)7-6-16-14(21)12-2-4-13(5-3-12)17-18-15/h2-5H,6-11H2,1H3,(H,16,21)
InChIKeyCQZMWZTVKOHDFC-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.61
Rot. Bonds5

About 4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide (PubChem CID 86629801) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
PubChem CID86629801
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCN1CCN(CCNC(=O)c2ccc(N=[N+]=[N-])cc2)CC1
InChIInChI=1S/C14H20N6O/c1-19-8-10-20(11-9-19)7-6-16-14(21)12-2-4-13(5-3-12)17-18-15/h2-5H,6-11H2,1H3,(H,16,21)
InChIKeyCQZMWZTVKOHDFC-UHFFFAOYSA-N
XLogP1.61
TPSA84.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide (CID 86629801) is 4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide is CN1CCN(CCNC(=O)c2ccc(N=[N+]=[N-])cc2)CC1.
What is the InChIKey of 4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is CQZMWZTVKOHDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-19-8-10-20(11-9-19)7-6-16-14(21)12-2-4-13(5-3-12)17-18-15/h2-5H,6-11H2,1H3,(H,16,21).
What are the key properties of 4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 86629801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).