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

C21H25N3O4 — CID 1149625

IUPACN-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C21H25N3O4/c1-26-18-5-3-2-4-17(18)24-12-10-23(11-13-24)9-8-21(25)22-16-6-7-19-20(14-16)28-15-27-19/h2-7,14H,8-13,15H2,1H3,(H,22,25)
InChIKeyJHXAQQSRWIEIMW-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.57
Rot. Bonds6

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

N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 1149625) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID1149625
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C21H25N3O4/c1-26-18-5-3-2-4-17(18)24-12-10-23(11-13-24)9-8-21(25)22-16-6-7-19-20(14-16)28-15-27-19/h2-7,14H,8-13,15H2,1H3,(H,22,25)
InChIKeyJHXAQQSRWIEIMW-UHFFFAOYSA-N
XLogP2.57
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 1149625) is N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccccc1N1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is JHXAQQSRWIEIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-26-18-5-3-2-4-17(18)24-12-10-23(11-13-24)9-8-21(25)22-16-6-7-19-20(14-16)28-15-27-19/h2-7,14H,8-13,15H2,1H3,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 383.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 1149625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).