5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one

C20H21F3N4O3 — CID 70693037

IUPAC5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESN[C@@H](CC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C20H21F3N4O3/c21-15-10-17(23)16(22)8-13(15)7-14(24)9-19(29)26-3-5-27(6-4-26)20(30)12-1-2-18(28)25-11-12/h1-2,8,10-11,14H,3-7,9,24H2,(H,25,28)/t14-/m1/s1
InChIKeyZTRSDLKYDRFWKC-CQSZACIVSA-N
MW422.41 g/mol
LogP1.04
Rot. Bonds5

About 5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one

5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70693037) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70693037
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESN[C@@H](CC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C20H21F3N4O3/c21-15-10-17(23)16(22)8-13(15)7-14(24)9-19(29)26-3-5-27(6-4-26)20(30)12-1-2-18(28)25-11-12/h1-2,8,10-11,14H,3-7,9,24H2,(H,25,28)/t14-/m1/s1
InChIKeyZTRSDLKYDRFWKC-CQSZACIVSA-N
XLogP1.04
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-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 5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 70693037) is 5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one is N[C@@H](CC(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)Cc1cc(F)c(F)cc1F.
What is the InChIKey of 5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is ZTRSDLKYDRFWKC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c21-15-10-17(23)16(22)8-13(15)7-14(24)9-19(29)26-3-5-27(6-4-26)20(30)12-1-2-18(28)25-11-12/h1-2,8,10-11,14H,3-7,9,24H2,(H,25,28)/t14-/m1/s1.
What are the key properties of 5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one?
5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 422.41 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70693037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).