3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide

C21H26N2O4 — CID 2803242

IUPAC3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O4/c1-25-18-13-15(14-19(26-2)20(18)27-3)21(24)22-16-9-5-6-10-17(16)23-11-7-4-8-12-23/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,22,24)
InChIKeyONJMIFREWBTZGZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.95
Rot. Bonds6

About 3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide

3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 2803242) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID2803242
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O4/c1-25-18-13-15(14-19(26-2)20(18)27-3)21(24)22-16-9-5-6-10-17(16)23-11-7-4-8-12-23/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,22,24)
InChIKeyONJMIFREWBTZGZ-UHFFFAOYSA-N
XLogP3.95
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide 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 3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide (CID 2803242) is 3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide is COc1cc(C(=O)Nc2ccccc2N2CCCCC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is ONJMIFREWBTZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-18-13-15(14-19(26-2)20(18)27-3)21(24)22-16-9-5-6-10-17(16)23-11-7-4-8-12-23/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,22,24).
What are the key properties of 3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide?
3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 2803242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).