3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide

C23H27FN2O3 — CID 24794215

IUPAC3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)Cc3cccc(F)c3)CC2)c1
InChIInChI=1S/C23H27FN2O3/c1-29-21-7-3-6-20(16-21)25-22(27)9-8-17-10-12-26(13-11-17)23(28)15-18-4-2-5-19(24)14-18/h2-7,14,16-17H,8-13,15H2,1H3,(H,25,27)
InChIKeyJVEVLSIJLVCZEV-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.03
Rot. Bonds7

About 3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide

3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 24794215) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
PubChem CID24794215
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)Cc3cccc(F)c3)CC2)c1
InChIInChI=1S/C23H27FN2O3/c1-29-21-7-3-6-20(16-21)25-22(27)9-8-17-10-12-26(13-11-17)23(28)15-18-4-2-5-19(24)14-18/h2-7,14,16-17H,8-13,15H2,1H3,(H,25,27)
InChIKeyJVEVLSIJLVCZEV-UHFFFAOYSA-N
XLogP4.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide (CID 24794215) is 3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCC2CCN(C(=O)Cc3cccc(F)c3)CC2)c1.
What is the InChIKey of 3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is JVEVLSIJLVCZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-29-21-7-3-6-20(16-21)25-22(27)9-8-17-10-12-26(13-11-17)23(28)15-18-4-2-5-19(24)14-18/h2-7,14,16-17H,8-13,15H2,1H3,(H,25,27).
What are the key properties of 3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 398.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 24794215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).