N-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide

C15H28F3N3O2 — CID 175628200

IUPACN-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(CCCOC(C)C)C[C@@H]1C(F)(F)F
InChIInChI=1S/C15H28F3N3O2/c1-4-19-14(22)11-21-8-7-20(6-5-9-23-12(2)3)10-13(21)15(16,17)18/h12-13H,4-11H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyJQQAZRFGSUDUMI-CYBMUJFWSA-N
MW339.40 g/mol
LogP1.49
Rot. Bonds8

About N-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide

N-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide (PubChem CID 175628200) has the molecular formula C15H28F3N3O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
PubChem CID175628200
Molecular FormulaC15H28F3N3O2
Molecular Weight339.40 g/mol
Exact Mass339.21
IUPAC NameN-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(CCCOC(C)C)C[C@@H]1C(F)(F)F
InChIInChI=1S/C15H28F3N3O2/c1-4-19-14(22)11-21-8-7-20(6-5-9-23-12(2)3)10-13(21)15(16,17)18/h12-13H,4-11H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyJQQAZRFGSUDUMI-CYBMUJFWSA-N
XLogP1.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide (CID 175628200) is N-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(CCCOC(C)C)C[C@@H]1C(F)(F)F.
What is the InChIKey of N-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The InChIKey is JQQAZRFGSUDUMI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28F3N3O2/c1-4-19-14(22)11-21-8-7-20(6-5-9-23-12(2)3)10-13(21)15(16,17)18/h12-13H,4-11H2,1-3H3,(H,19,22)/t13-/m1/s1.
What are the key properties of N-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
N-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 175628200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).