N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide

C23H29N3O3 — CID 3220803

IUPACN-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
SMILESCCOc1ccccc1NC(=O)CN1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C23H29N3O3/c1-3-29-21-11-7-6-10-20(21)25-22(27)16-26-14-12-18(13-15-26)24-23(28)19-9-5-4-8-17(19)2/h4-11,18H,3,12-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyWMKSFPYNDBBECL-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.23
Rot. Bonds7

About N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 3220803) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID3220803
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
SMILESCCOc1ccccc1NC(=O)CN1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C23H29N3O3/c1-3-29-21-11-7-6-10-20(21)25-22(27)16-26-14-12-18(13-15-26)24-23(28)19-9-5-4-8-17(19)2/h4-11,18H,3,12-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyWMKSFPYNDBBECL-UHFFFAOYSA-N
XLogP3.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide 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-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide
CID 7411643
methyl 3-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 55849627
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 87014558
2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24507184
N-[1-[2-(dicyclopropylmethylamino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 87017011
N-(2-ethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494653
2-ethoxy-N-[1-[2-oxo-2-(N-phenylanilino)ethyl]piperidin-4-yl]benzamide
CID 3220910
N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 1445052
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16910200
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide (CID 3220803) is N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide is CCOc1ccccc1NC(=O)CN1CCC(NC(=O)c2ccccc2C)CC1.
What is the InChIKey of N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is WMKSFPYNDBBECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-29-21-11-7-6-10-20(21)25-22(27)16-26-14-12-18(13-15-26)24-23(28)19-9-5-4-8-17(19)2/h4-11,18H,3,12-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 395.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 3220803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).