3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

C23H30N2O4 — CID 24551923

IUPAC3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H30N2O4/c1-24(16-17-8-10-19(11-9-17)25-12-6-5-7-13-25)23(26)18-14-20(27-2)22(29-4)21(15-18)28-3/h8-11,14-15H,5-7,12-13,16H2,1-4H3
InChIKeyXEDAXQLCKYALTG-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.97
Rot. Bonds7

About 3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide (PubChem CID 24551923) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
PubChem CID24551923
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H30N2O4/c1-24(16-17-8-10-19(11-9-17)25-12-6-5-7-13-25)23(26)18-14-20(27-2)22(29-4)21(15-18)28-3/h8-11,14-15H,5-7,12-13,16H2,1-4H3
InChIKeyXEDAXQLCKYALTG-UHFFFAOYSA-N
XLogP3.97
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]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-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-methyl-1,4-dioxo-N-[(4-piperidin-1-ylphenyl)methyl]-2,3-dihydrophthalazine-6-carboxamide
CID 25391675
3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide
CID 26972977
3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551926
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
N,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazine-2-carboxamide
CID 24551928
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 46662287
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 18072731
N-methyl-12-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 34470728
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide (CID 24551923) is 3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide is COc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The InChIKey is XEDAXQLCKYALTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-24(16-17-8-10-19(11-9-17)25-12-6-5-7-13-25)23(26)18-14-20(27-2)22(29-4)21(15-18)28-3/h8-11,14-15H,5-7,12-13,16H2,1-4H3.
What are the key properties of 3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide has a molecular weight of 398.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 24551923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).