2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide

C23H28N6O — CID 46951966

IUPAC2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3cccc(CN4CCCCC4C)c3)n2)cc1
InChIInChI=1S/C23H28N6O/c1-17-9-11-20(12-10-17)23-25-27-29(26-23)16-22(30)24-21-8-5-7-19(14-21)15-28-13-4-3-6-18(28)2/h5,7-12,14,18H,3-4,6,13,15-16H2,1-2H3,(H,24,30)
InChIKeySFGHVQCZESJDKI-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.66
Rot. Bonds6

About 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide (PubChem CID 46951966) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
PubChem CID46951966
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)Nc3cccc(CN4CCCCC4C)c3)n2)cc1
InChIInChI=1S/C23H28N6O/c1-17-9-11-20(12-10-17)23-25-27-29(26-23)16-22(30)24-21-8-5-7-19(14-21)15-28-13-4-3-6-18(28)2/h5,7-12,14,18H,3-4,6,13,15-16H2,1-2H3,(H,24,30)
InChIKeySFGHVQCZESJDKI-UHFFFAOYSA-N
XLogP3.66
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide 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-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide (CID 46951966) is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide is Cc1ccc(-c2nnn(CC(=O)Nc3cccc(CN4CCCCC4C)c3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is SFGHVQCZESJDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-17-9-11-20(12-10-17)23-25-27-29(26-23)16-22(30)24-21-8-5-7-19(14-21)15-28-13-4-3-6-18(28)2/h5,7-12,14,18H,3-4,6,13,15-16H2,1-2H3,(H,24,30).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide?
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 404.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 46951966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).