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

C15H19F3N4O2 — CID 24683954

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCc1oc(NC(=O)CN2CCN(CC(F)(F)F)CC2)c(C#N)c1C
InChIInChI=1S/C15H19F3N4O2/c1-10-11(2)24-14(12(10)7-19)20-13(23)8-21-3-5-22(6-4-21)9-15(16,17)18/h3-6,8-9H2,1-2H3,(H,20,23)
InChIKeySNSBLBRUTJLSMW-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.89
Rot. Bonds4

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

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (PubChem CID 24683954) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
PubChem CID24683954
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCc1oc(NC(=O)CN2CCN(CC(F)(F)F)CC2)c(C#N)c1C
InChIInChI=1S/C15H19F3N4O2/c1-10-11(2)24-14(12(10)7-19)20-13(23)8-21-3-5-22(6-4-21)9-15(16,17)18/h3-6,8-9H2,1-2H3,(H,20,23)
InChIKeySNSBLBRUTJLSMW-UHFFFAOYSA-N
XLogP1.89
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.89
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-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (CID 24683954) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is Cc1oc(NC(=O)CN2CCN(CC(F)(F)F)CC2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The InChIKey is SNSBLBRUTJLSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-10-11(2)24-14(12(10)7-19)20-13(23)8-21-3-5-22(6-4-21)9-15(16,17)18/h3-6,8-9H2,1-2H3,(H,20,23).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide has a molecular weight of 344.34 g/mol, XLogP of 1.89, 4 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-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24683954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).