3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide

C16H21N5O — CID 120601161

IUPAC3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(C(=O)NC2CCNC(C)C2)ccc1-n1cncn1
InChIInChI=1S/C16H21N5O/c1-11-7-13(3-4-15(11)21-10-17-9-19-21)16(22)20-14-5-6-18-12(2)8-14/h3-4,7,9-10,12,14,18H,5-6,8H2,1-2H3,(H,20,22)
InChIKeyGORRDWGBOZNXQU-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.45
Rot. Bonds3

About 3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide

3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 120601161) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID120601161
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1cc(C(=O)NC2CCNC(C)C2)ccc1-n1cncn1
InChIInChI=1S/C16H21N5O/c1-11-7-13(3-4-15(11)21-10-17-9-19-21)16(22)20-14-5-6-18-12(2)8-14/h3-4,7,9-10,12,14,18H,5-6,8H2,1-2H3,(H,20,22)
InChIKeyGORRDWGBOZNXQU-UHFFFAOYSA-N
XLogP1.45
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119459662
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 166214673
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71991149
3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride
CID 120601410
N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119592179
N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120601332
N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 106995338
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599506

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide (CID 120601161) is 3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide is Cc1cc(C(=O)NC2CCNC(C)C2)ccc1-n1cncn1.
What is the InChIKey of 3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is GORRDWGBOZNXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-7-13(3-4-15(11)21-10-17-9-19-21)16(22)20-14-5-6-18-12(2)8-14/h3-4,7,9-10,12,14,18H,5-6,8H2,1-2H3,(H,20,22).
What are the key properties of 3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide?
3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 299.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpiperidin-4-yl)-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 120601161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).