4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide

C19H28N2O4 — CID 59620182

IUPAC4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide
SMILESCC(C)COC(C)ONC(=O)c1ccc(N2CCC(C=O)CC2)cc1
InChIInChI=1S/C19H28N2O4/c1-14(2)13-24-15(3)25-20-19(23)17-4-6-18(7-5-17)21-10-8-16(12-22)9-11-21/h4-7,12,14-16H,8-11,13H2,1-3H3,(H,20,23)
InChIKeyMKWISKOCOUQGCK-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.78
Rot. Bonds8

About 4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide

4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide (PubChem CID 59620182) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide.

Molecular Properties

Compound Name4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide
PubChem CID59620182
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide
SMILESCC(C)COC(C)ONC(=O)c1ccc(N2CCC(C=O)CC2)cc1
InChIInChI=1S/C19H28N2O4/c1-14(2)13-24-15(3)25-20-19(23)17-4-6-18(7-5-17)21-10-8-16(12-22)9-11-21/h4-7,12,14-16H,8-11,13H2,1-3H3,(H,20,23)
InChIKeyMKWISKOCOUQGCK-UHFFFAOYSA-N
XLogP2.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]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

4-(4-formylpiperidin-1-yl)-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
CID 177325924
4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 111464649
4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide
CID 174597039
2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 167519802
1-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carbaldehyde
CID 83967239
N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 22778353
N-[4-[3-(cyclohexylamino)pyrrolidin-1-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 21105605
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)benzamide
CID 110406768
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653
2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 54989376
4-[4-(2-methoxyethylamino)piperidin-1-yl]-N-(1-phenylethyl)benzamide
CID 45235166

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide?
The IUPAC name of 4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide (CID 59620182) is 4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide.
What is the SMILES notation for 4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide?
The canonical SMILES for 4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide is CC(C)COC(C)ONC(=O)c1ccc(N2CCC(C=O)CC2)cc1.
What is the InChIKey of 4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide?
The InChIKey is MKWISKOCOUQGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(2)13-24-15(3)25-20-19(23)17-4-6-18(7-5-17)21-10-8-16(12-22)9-11-21/h4-7,12,14-16H,8-11,13H2,1-3H3,(H,20,23).
What are the key properties of 4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide?
4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide has a molecular weight of 348.44 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperidin-1-yl)-N-[1-(2-methylpropoxy)ethoxy]benzamide is sourced from PubChem (CID 59620182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).