N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

C20H22FN3O3 — CID 656215

IUPACN-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H22FN3O3/c21-16-3-1-2-4-17(16)24-11-9-23(10-12-24)8-7-20(25)22-15-5-6-18-19(13-15)27-14-26-18/h1-6,13H,7-12,14H2,(H,22,25)
InChIKeyRFCWWVHEIDWZTO-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.71
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 656215) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID656215
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H22FN3O3/c21-16-3-1-2-4-17(16)24-11-9-23(10-12-24)8-7-20(25)22-15-5-6-18-19(13-15)27-14-26-18/h1-6,13H,7-12,14H2,(H,22,25)
InChIKeyRFCWWVHEIDWZTO-UHFFFAOYSA-N
XLogP2.71
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]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 N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (CID 656215) is N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is O=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is RFCWWVHEIDWZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-16-3-1-2-4-17(16)24-11-9-23(10-12-24)8-7-20(25)22-15-5-6-18-19(13-15)27-14-26-18/h1-6,13H,7-12,14H2,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 371.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 656215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).