N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

C21H26N4O3 — CID 18135579

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCc1oc(NC(=O)CN2CCN(CCOc3ccccc3)CC2)c(C#N)c1C
InChIInChI=1S/C21H26N4O3/c1-16-17(2)28-21(19(16)14-22)23-20(26)15-25-10-8-24(9-11-25)12-13-27-18-6-4-3-5-7-18/h3-7H,8-13,15H2,1-2H3,(H,23,26)
InChIKeySFQOLCSUBOHODT-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.40
Rot. Bonds7

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (PubChem CID 18135579) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
PubChem CID18135579
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
SMILESCc1oc(NC(=O)CN2CCN(CCOc3ccccc3)CC2)c(C#N)c1C
InChIInChI=1S/C21H26N4O3/c1-16-17(2)28-21(19(16)14-22)23-20(26)15-25-10-8-24(9-11-25)12-13-27-18-6-4-3-5-7-18/h3-7H,8-13,15H2,1-2H3,(H,23,26)
InChIKeySFQOLCSUBOHODT-UHFFFAOYSA-N
XLogP2.40
TPSA81.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide 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

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 38125978
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 46689396
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39013390
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 86915610
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(4-sulfamoylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 16595951
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681461
methyl 4-cyano-2-methyl-5-(4-phenoxybutanoylamino)furan-3-carboxylate
CID 108757360
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 86915581
N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259807
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 9458920

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide (CID 18135579) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is Cc1oc(NC(=O)CN2CCN(CCOc3ccccc3)CC2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
The InChIKey is SFQOLCSUBOHODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-16-17(2)28-21(19(16)14-22)23-20(26)15-25-10-8-24(9-11-25)12-13-27-18-6-4-3-5-7-18/h3-7H,8-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18135579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).