N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide

C15H22N4O2 — CID 71877530

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide
SMILESCc1oc(NC(=O)CN2CCN(C)CC2C)c(C#N)c1C
InChIInChI=1S/C15H22N4O2/c1-10-8-18(4)5-6-19(10)9-14(20)17-15-13(7-16)11(2)12(3)21-15/h10H,5-6,8-9H2,1-4H3,(H,17,20)
InChIKeyQOTQNWGYOWDBDD-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.34
Rot. Bonds3

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide (PubChem CID 71877530) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide
PubChem CID71877530
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide
SMILESCc1oc(NC(=O)CN2CCN(C)CC2C)c(C#N)c1C
InChIInChI=1S/C15H22N4O2/c1-10-8-18(4)5-6-19(10)9-14(20)17-15-13(7-16)11(2)12(3)21-15/h10H,5-6,8-9H2,1-4H3,(H,17,20)
InChIKeyQOTQNWGYOWDBDD-UHFFFAOYSA-N
XLogP1.34
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide (CID 71877530) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide is Cc1oc(NC(=O)CN2CCN(C)CC2C)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide?
The InChIKey is QOTQNWGYOWDBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-8-18(4)5-6-19(10)9-14(20)17-15-13(7-16)11(2)12(3)21-15/h10H,5-6,8-9H2,1-4H3,(H,17,20).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,4-dimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 71877530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).