2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C22H27N5O — CID 1469779

IUPAC2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1
InChIInChI=1S/C22H27N5O/c1-16-3-6-18(7-4-16)14-23-22(28)15-26-11-9-19(10-12-26)27-21-8-5-17(2)13-20(21)24-25-27/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,23,28)
InChIKeyCBWHMSZASATQRF-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.00
Rot. Bonds5

About 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 1469779) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID1469779
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1
InChIInChI=1S/C22H27N5O/c1-16-3-6-18(7-4-16)14-23-22(28)15-26-11-9-19(10-12-26)27-21-8-5-17(2)13-20(21)24-25-27/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,23,28)
InChIKeyCBWHMSZASATQRF-UHFFFAOYSA-N
XLogP3.00
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]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-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 1469779) is 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1.
What is the InChIKey of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is CBWHMSZASATQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-3-6-18(7-4-16)14-23-22(28)15-26-11-9-19(10-12-26)27-21-8-5-17(2)13-20(21)24-25-27/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,23,28).
What are the key properties of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 1469779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).