N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

C22H29N3O3 — CID 3241082

IUPACN-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCCOc1ccc(NC(=O)CCN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-3-28-19-10-8-18(9-11-19)23-22(26)12-13-24-14-16-25(17-15-24)20-6-4-5-7-21(20)27-2/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyLABRMSNPPVAEAN-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.24
Rot. Bonds8

About N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 3241082) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID3241082
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCCOc1ccc(NC(=O)CCN2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-3-28-19-10-8-18(9-11-19)23-22(26)12-13-24-14-16-25(17-15-24)20-6-4-5-7-21(20)27-2/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyLABRMSNPPVAEAN-UHFFFAOYSA-N
XLogP3.24
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)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-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 3241082) is N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is CCOc1ccc(NC(=O)CCN2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is LABRMSNPPVAEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-28-19-10-8-18(9-11-19)23-22(26)12-13-24-14-16-25(17-15-24)20-6-4-5-7-21(20)27-2/h4-11H,3,12-17H2,1-2H3,(H,23,26).
What are the key properties of N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 383.49 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 3241082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).