(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one

C17H22F3N3O3 — CID 25055743

IUPAC(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one
SMILESCCOC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C17H22F3N3O3/c1-2-26-9-15-17(25)22-3-4-23(15)16(24)7-11(21)5-10-6-13(19)14(20)8-12(10)18/h6,8,11,15H,2-5,7,9,21H2,1H3,(H,22,25)/t11-,15-/m1/s1
InChIKeyUCHZSEWTMHMOTL-IAQYHMDHSA-N
MW373.38 g/mol
LogP0.73
Rot. Bonds7

About (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one

(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one (PubChem CID 25055743) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one
PubChem CID25055743
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one
SMILESCCOC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C17H22F3N3O3/c1-2-26-9-15-17(25)22-3-4-23(15)16(24)7-11(21)5-10-6-13(19)14(20)8-12(10)18/h6,8,11,15H,2-5,7,9,21H2,1H3,(H,22,25)/t11-,15-/m1/s1
InChIKeyUCHZSEWTMHMOTL-IAQYHMDHSA-N
XLogP0.73
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one?
The IUPAC name of (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one (CID 25055743) is (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one?
The canonical SMILES for (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one is CCOC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.
What is the InChIKey of (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one?
The InChIKey is UCHZSEWTMHMOTL-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-2-26-9-15-17(25)22-3-4-23(15)16(24)7-11(21)5-10-6-13(19)14(20)8-12(10)18/h6,8,11,15H,2-5,7,9,21H2,1H3,(H,22,25)/t11-,15-/m1/s1.
What are the key properties of (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one?
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one has a molecular weight of 373.38 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(ethoxymethyl)piperazin-2-one is sourced from PubChem (CID 25055743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).