2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide

C14H18F3N3O — CID 80548019

IUPAC2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(F)c(F)c1F)N1CCNCC1
InChIInChI=1S/C14H18F3N3O/c1-14(2,20-7-5-18-6-8-20)13(21)19-10-4-3-9(15)11(16)12(10)17/h3-4,18H,5-8H2,1-2H3,(H,19,21)
InChIKeyVYCWQSGPCFUQQR-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.73
Rot. Bonds3

About 2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide

2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 80548019) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID80548019
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(F)c(F)c1F)N1CCNCC1
InChIInChI=1S/C14H18F3N3O/c1-14(2,20-7-5-18-6-8-20)13(21)19-10-4-3-9(15)11(16)12(10)17/h3-4,18H,5-8H2,1-2H3,(H,19,21)
InChIKeyVYCWQSGPCFUQQR-UHFFFAOYSA-N
XLogP1.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.73
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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Related Compounds

N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 106954484
N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547613
2-methyl-2-piperazin-1-yl-N-(2-propylphenyl)propanamide
CID 80548084
2-tert-butylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 78781855
2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide
CID 80548785
N-(4-tert-butylphenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108968690
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970179
2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide
CID 80547446
N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide
CID 108506939
N-(6-chloro-3-pyridinyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 81490002
2-[(3-oxo-3-piperazin-1-ylpropyl)-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 120980373
N-(2,3,4-trifluorophenyl)azepane-1-carboxamide
CID 47193814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide (CID 80548019) is 2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide is CC(C)(C(=O)Nc1ccc(F)c(F)c1F)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is VYCWQSGPCFUQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-14(2,20-7-5-18-6-8-20)13(21)19-10-4-3-9(15)11(16)12(10)17/h3-4,18H,5-8H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide?
2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 301.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 80548019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).