(4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

C15H19N5O — CID 71911473

IUPAC(4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCC(c3nn[nH]n3)C2)cc1
InChIInChI=1S/C15H19N5O/c1-2-11-5-7-12(8-6-11)15(21)20-9-3-4-13(10-20)14-16-18-19-17-14/h5-8,13H,2-4,9-10H2,1H3,(H,16,17,18,19)
InChIKeyMULNSTBXUOPDJG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.78
Rot. Bonds3

About (4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

(4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 71911473) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID71911473
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCC(c3nn[nH]n3)C2)cc1
InChIInChI=1S/C15H19N5O/c1-2-11-5-7-12(8-6-11)15(21)20-9-3-4-13(10-20)14-16-18-19-17-14/h5-8,13H,2-4,9-10H2,1H3,(H,16,17,18,19)
InChIKeyMULNSTBXUOPDJG-UHFFFAOYSA-N
XLogP1.78
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone 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 (4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 71911473) is (4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCCC(c3nn[nH]n3)C2)cc1.
What is the InChIKey of (4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is MULNSTBXUOPDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-11-5-7-12(8-6-11)15(21)20-9-3-4-13(10-20)14-16-18-19-17-14/h5-8,13H,2-4,9-10H2,1H3,(H,16,17,18,19).
What are the key properties of (4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
(4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 285.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71911473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).