2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide

C26H26ClN3O3 — CID 4560795

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)C(C)N1CCN(c3ccccc3Cl)CC1)oc1ccccc12
InChIInChI=1S/C26H26ClN3O3/c1-17(29-11-13-30(14-12-29)22-9-5-4-8-20(22)27)26(31)28-21-16-24-19(15-25(21)32-2)18-7-3-6-10-23(18)33-24/h3-10,15-17H,11-14H2,1-2H3,(H,28,31)
InChIKeyYYRCFIAADVDDPE-UHFFFAOYSA-N
MW463.97 g/mol
LogP5.40
Rot. Bonds5

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide (PubChem CID 4560795) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide
PubChem CID4560795
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)C(C)N1CCN(c3ccccc3Cl)CC1)oc1ccccc12
InChIInChI=1S/C26H26ClN3O3/c1-17(29-11-13-30(14-12-29)22-9-5-4-8-20(22)27)26(31)28-21-16-24-19(15-25(21)32-2)18-7-3-6-10-23(18)33-24/h3-10,15-17H,11-14H2,1-2H3,(H,28,31)
InChIKeyYYRCFIAADVDDPE-UHFFFAOYSA-N
XLogP5.40
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-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

Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4880357
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 40937996
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 4802218
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944089
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717571
(2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2462122
(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 8704511
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7916291

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide (CID 4560795) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide is COc1cc2c(cc1NC(=O)C(C)N1CCN(c3ccccc3Cl)CC1)oc1ccccc12.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide?
The InChIKey is YYRCFIAADVDDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-17(29-11-13-30(14-12-29)22-9-5-4-8-20(22)27)26(31)28-21-16-24-19(15-25(21)32-2)18-7-3-6-10-23(18)33-24/h3-10,15-17H,11-14H2,1-2H3,(H,28,31).
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide?
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide has a molecular weight of 463.97 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide is sourced from PubChem (CID 4560795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).