2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H17F3N4O — CID 83021340

IUPAC2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN1CCN(NCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N4O/c1-15-2-4-16(5-3-15)14-6-8(17)13-7-9(10,11)12/h14H,2-7H2,1H3,(H,13,17)
InChIKeySNUJVTJAFLLAMB-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.58
Rot. Bonds4

About 2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 83021340) has the molecular formula C9H17F3N4O and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID83021340
Molecular FormulaC9H17F3N4O
Molecular Weight254.26 g/mol
Exact Mass254.14
IUPAC Name2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN1CCN(NCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N4O/c1-15-2-4-16(5-3-15)14-6-8(17)13-7-9(10,11)12/h14H,2-7H2,1H3,(H,13,17)
InChIKeySNUJVTJAFLLAMB-UHFFFAOYSA-N
XLogP-0.58
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 83021340) is 2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CN1CCN(NCC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SNUJVTJAFLLAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N4O/c1-15-2-4-16(5-3-15)14-6-8(17)13-7-9(10,11)12/h14H,2-7H2,1H3,(H,13,17).
What are the key properties of 2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 254.26 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 83021340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).