N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide

C16H18N8O — CID 75389682

IUPACN-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide
SMILESO=C(Nc1nc(N2CCCCC2)n[nH]1)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C16H18N8O/c25-14(12-5-4-6-13(11-12)24-10-7-17-22-24)18-15-19-16(21-20-15)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2,(H2,18,19,20,21,25)
InChIKeyMSOFDARIWLCWGA-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.63
Rot. Bonds4

About N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide

N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide (PubChem CID 75389682) has the molecular formula C16H18N8O and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide
PubChem CID75389682
Molecular FormulaC16H18N8O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC NameN-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide
SMILESO=C(Nc1nc(N2CCCCC2)n[nH]1)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C16H18N8O/c25-14(12-5-4-6-13(11-12)24-10-7-17-22-24)18-15-19-16(21-20-15)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2,(H2,18,19,20,21,25)
InChIKeyMSOFDARIWLCWGA-UHFFFAOYSA-N
XLogP1.63
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(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

3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide
CID 56527384
N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122298661
3-hydroxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide
CID 56556236
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide
CID 75389637
4-methyl-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 75376748
4-fluoro-2-iodo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide
CID 56555561
N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide
CID 90544570
6-bromo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide
CID 56527542
N-(1-methyl-4-nitropyrazol-5-yl)-3-(triazol-1-yl)benzamide
CID 99834148
N-(3-methyl-5-phenylimidazol-4-yl)-3-(triazol-1-yl)benzamide
CID 75514102
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide
CID 75389703
N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 167747025

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide?
The IUPAC name of N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide (CID 75389682) is N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide.
What is the SMILES notation for N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide?
The canonical SMILES for N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide is O=C(Nc1nc(N2CCCCC2)n[nH]1)c1cccc(-n2ccnn2)c1.
What is the InChIKey of N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide?
The InChIKey is MSOFDARIWLCWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c25-14(12-5-4-6-13(11-12)24-10-7-17-22-24)18-15-19-16(21-20-15)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2,(H2,18,19,20,21,25).
What are the key properties of N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide?
N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide has a molecular weight of 338.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)-3-(triazol-1-yl)benzamide is sourced from PubChem (CID 75389682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).