2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide

C22H27N3O4 — CID 110407330

IUPAC2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H27N3O4/c1-28-18-7-6-8-19(29-2)21(18)22(27)23-15-20(26)24-16-9-11-17(12-10-16)25-13-4-3-5-14-25/h6-12H,3-5,13-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyDDXCSRJEUTXGBJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.06
Rot. Bonds7

About 2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide

2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide (PubChem CID 110407330) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide
PubChem CID110407330
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H27N3O4/c1-28-18-7-6-8-19(29-2)21(18)22(27)23-15-20(26)24-16-9-11-17(12-10-16)25-13-4-3-5-14-25/h6-12H,3-5,13-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyDDXCSRJEUTXGBJ-UHFFFAOYSA-N
XLogP3.06
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]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-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
CID 17463645
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109039433
2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009591
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
CID 113000164
methyl 3-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]benzoate
CID 51110852
2-(2,6-dimethoxy-4-methylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7550487
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056
2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide
CID 110601075
N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908637
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2,6-dimethoxybenzamide
CID 110370532

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide (CID 110407330) is 2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide is COc1cccc(OC)c1C(=O)NCC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide?
The InChIKey is DDXCSRJEUTXGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-18-7-6-8-19(29-2)21(18)22(27)23-15-20(26)24-16-9-11-17(12-10-16)25-13-4-3-5-14-25/h6-12H,3-5,13-15H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide?
2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide is sourced from PubChem (CID 110407330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).