2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide

C13H16F3N3O — CID 104975748

IUPAC2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ccc(F)c(F)c2F)CCN1
InChIInChI=1S/C13H16F3N3O/c1-8-6-19(5-4-17-8)7-11(20)18-10-3-2-9(14)12(15)13(10)16/h2-3,8,17H,4-7H2,1H3,(H,18,20)/t8-/m1/s1
InChIKeyHBLUVDUMSPZOII-MRVPVSSYSA-N
MW287.28 g/mol
LogP1.34
Rot. Bonds3

About 2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide

2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 104975748) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID104975748
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ccc(F)c(F)c2F)CCN1
InChIInChI=1S/C13H16F3N3O/c1-8-6-19(5-4-17-8)7-11(20)18-10-3-2-9(14)12(15)13(10)16/h2-3,8,17H,4-7H2,1H3,(H,18,20)/t8-/m1/s1
InChIKeyHBLUVDUMSPZOII-MRVPVSSYSA-N
XLogP1.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide (CID 104975748) is 2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide is C[C@@H]1CN(CC(=O)Nc2ccc(F)c(F)c2F)CCN1.
What is the InChIKey of 2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is HBLUVDUMSPZOII-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-8-6-19(5-4-17-8)7-11(20)18-10-3-2-9(14)12(15)13(10)16/h2-3,8,17H,4-7H2,1H3,(H,18,20)/t8-/m1/s1.
What are the key properties of 2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 287.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 104975748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).