N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide

C25H33N3O5 — CID 3220749

IUPACN-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc(OC)c1OC
InChIInChI=1S/C25H33N3O5/c1-16-7-6-8-20(17(16)2)27-23(29)15-28-11-9-19(10-12-28)26-25(30)18-13-21(31-3)24(33-5)22(14-18)32-4/h6-8,13-14,19H,9-12,15H2,1-5H3,(H,26,30)(H,27,29)
InChIKeyOGUKCCGPRPWRRQ-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.16
Rot. Bonds8

About N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide

N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide (PubChem CID 3220749) has the molecular formula C25H33N3O5 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
PubChem CID3220749
Molecular FormulaC25H33N3O5
Molecular Weight455.56 g/mol
Exact Mass455.24
IUPAC NameN-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc(OC)c1OC
InChIInChI=1S/C25H33N3O5/c1-16-7-6-8-20(17(16)2)27-23(29)15-28-11-9-19(10-12-28)26-25(30)18-13-21(31-3)24(33-5)22(14-18)32-4/h6-8,13-14,19H,9-12,15H2,1-5H3,(H,26,30)(H,27,29)
InChIKeyOGUKCCGPRPWRRQ-UHFFFAOYSA-N
XLogP3.16
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide 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

3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
CID 3200252
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220746
3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 25415149
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808
N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 3220803
N-(2,3-dimethylphenyl)-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 78795520
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
(2S)-N-cyclopropyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8711915
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
N-(2,3-dimethylphenyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
CID 27542834

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide (CID 3220749) is N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc(OC)c1OC.
What is the InChIKey of N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is OGUKCCGPRPWRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5/c1-16-7-6-8-20(17(16)2)27-23(29)15-28-11-9-19(10-12-28)26-25(30)18-13-21(31-3)24(33-5)22(14-18)32-4/h6-8,13-14,19H,9-12,15H2,1-5H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide?
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 455.56 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 3220749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).