N-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

C10H13F3N4O2 — CID 55140774

IUPACN-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESN#CCNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)7-16-3-5-17(6-4-16)9(19)8(18)15-2-1-14/h2-7H2,(H,15,18)
InChIKeyRDJHWIJQXRLFLJ-UHFFFAOYSA-N
MW278.23 g/mol
LogP-0.67
Rot. Bonds2

About N-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

N-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (PubChem CID 55140774) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
PubChem CID55140774
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC NameN-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESN#CCNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H13F3N4O2/c11-10(12,13)7-16-3-5-17(6-4-16)9(19)8(18)15-2-1-14/h2-7H2,(H,15,18)
InChIKeyRDJHWIJQXRLFLJ-UHFFFAOYSA-N
XLogP-0.67
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (CID 55140774) is N-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is N#CCNC(=O)C(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The InChIKey is RDJHWIJQXRLFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c11-10(12,13)7-16-3-5-17(6-4-16)9(19)8(18)15-2-1-14/h2-7H2,(H,15,18).
What are the key properties of N-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
N-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide has a molecular weight of 278.23 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55140774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).