N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide

C24H29FN2O4 — CID 108549384

IUPACN-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide
SMILESCCOc1ccc(CCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1OC
InChIInChI=1S/C24H29FN2O4/c1-3-31-21-10-8-17(16-22(21)30-2)9-11-23(28)27-14-12-18(13-15-27)26-24(29)19-6-4-5-7-20(19)25/h4-8,10,16,18H,3,9,11-15H2,1-2H3,(H,26,29)
InChIKeyYNUOEYARZHLINF-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.59
Rot. Bonds8

About N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide

N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide (PubChem CID 108549384) has the molecular formula C24H29FN2O4 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide
PubChem CID108549384
Molecular FormulaC24H29FN2O4
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC NameN-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide
SMILESCCOc1ccc(CCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1OC
InChIInChI=1S/C24H29FN2O4/c1-3-31-21-10-8-17(16-22(21)30-2)9-11-23(28)27-14-12-18(13-15-27)26-24(29)19-6-4-5-7-20(19)25/h4-8,10,16,18H,3,9,11-15H2,1-2H3,(H,26,29)
InChIKeyYNUOEYARZHLINF-UHFFFAOYSA-N
XLogP3.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide 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-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549245
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2,4-difluorobenzamide
CID 108566527
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108556122
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554742
3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea
CID 108566557
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558860
benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566561
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557870
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
CID 108551307
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935670
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide (CID 108549384) is N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide is CCOc1ccc(CCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1OC.
What is the InChIKey of N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide?
The InChIKey is YNUOEYARZHLINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4/c1-3-31-21-10-8-17(16-22(21)30-2)9-11-23(28)27-14-12-18(13-15-27)26-24(29)19-6-4-5-7-20(19)25/h4-8,10,16,18H,3,9,11-15H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide?
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide has a molecular weight of 428.50 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 108549384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).