3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide

C29H40FN3O4 — CID 176686847

IUPAC3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide
SMILESCCOc1ccc(CCC(=O)N(CCCOC)C(C(=O)NCc2ccc(F)cc2)C2CCNCC2)cc1
InChIInChI=1S/C29H40FN3O4/c1-3-37-26-12-7-22(8-13-26)9-14-27(34)33(19-4-20-36-2)28(24-15-17-31-18-16-24)29(35)32-21-23-5-10-25(30)11-6-23/h5-8,10-13,24,28,31H,3-4,9,14-21H2,1-2H3,(H,32,35)
InChIKeyINFBPKSLRULLCD-UHFFFAOYSA-N
MW513.65 g/mol
LogP3.71
Rot. Bonds14

About 3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide

3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide (PubChem CID 176686847) has the molecular formula C29H40FN3O4 and a molecular weight of 513.65 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide
PubChem CID176686847
Molecular FormulaC29H40FN3O4
Molecular Weight513.65 g/mol
Exact Mass513.30
IUPAC Name3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide
SMILESCCOc1ccc(CCC(=O)N(CCCOC)C(C(=O)NCc2ccc(F)cc2)C2CCNCC2)cc1
InChIInChI=1S/C29H40FN3O4/c1-3-37-26-12-7-22(8-13-26)9-14-27(34)33(19-4-20-36-2)28(24-15-17-31-18-16-24)29(35)32-21-23-5-10-25(30)11-6-23/h5-8,10-13,24,28,31H,3-4,9,14-21H2,1-2H3,(H,32,35)
InChIKeyINFBPKSLRULLCD-UHFFFAOYSA-N
XLogP3.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.65
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide 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-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 176686326
N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol
CID 112512841
methyl 3-[4-[[[(4-fluorophenyl)methyl-piperidin-4-ylcarbamoyl]amino]methyl]phenoxy]-2-methylpropanoate
CID 46935344
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 9494892
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
4-[[(3S,4R)-4-[4-[2-(4-fluorophenyl)ethoxy]phenyl]piperidin-3-yl]methoxy]-N-(3-methoxypropyl)benzamide
CID 126676938
2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide
CID 120985316
4-ethoxy-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2668522
3-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825341
N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 119321222
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide
CID 58115535

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide (CID 176686847) is 3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide is CCOc1ccc(CCC(=O)N(CCCOC)C(C(=O)NCc2ccc(F)cc2)C2CCNCC2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide?
The InChIKey is INFBPKSLRULLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40FN3O4/c1-3-37-26-12-7-22(8-13-26)9-14-27(34)33(19-4-20-36-2)28(24-15-17-31-18-16-24)29(35)32-21-23-5-10-25(30)11-6-23/h5-8,10-13,24,28,31H,3-4,9,14-21H2,1-2H3,(H,32,35).
What are the key properties of 3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide?
3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide has a molecular weight of 513.65 g/mol, XLogP of 3.71, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-piperidin-4-ylethyl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 176686847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).