2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone

C15H20N6O — CID 1463679

IUPAC2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2nnc(-c3ccc(N)cc3)n2)CC1
InChIInChI=1S/C15H20N6O/c1-11-6-8-20(9-7-11)14(22)10-21-18-15(17-19-21)12-2-4-13(16)5-3-12/h2-5,11H,6-10,16H2,1H3
InChIKeyFJSYOZCYMWPSHO-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.18
Rot. Bonds3

About 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 1463679) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID1463679
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2nnc(-c3ccc(N)cc3)n2)CC1
InChIInChI=1S/C15H20N6O/c1-11-6-8-20(9-7-11)14(22)10-21-18-15(17-19-21)12-2-4-13(16)5-3-12/h2-5,11H,6-10,16H2,1H3
InChIKeyFJSYOZCYMWPSHO-UHFFFAOYSA-N
XLogP1.18
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 1463679) is 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)Cn2nnc(-c3ccc(N)cc3)n2)CC1.
What is the InChIKey of 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is FJSYOZCYMWPSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-6-8-20(9-7-11)14(22)10-21-18-15(17-19-21)12-2-4-13(16)5-3-12/h2-5,11H,6-10,16H2,1H3.
What are the key properties of 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 300.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-aminophenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 1463679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).