2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide

C25H29F3N4O3 — CID 46571611

IUPAC2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
SMILESCC(C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C25H29F3N4O3/c1-16(23(34)29-15-20(33)30-19-10-9-18(26)21(27)22(19)28)31-11-13-32(14-12-31)24(35)25(2,3)17-7-5-4-6-8-17/h4-10,16H,11-15H2,1-3H3,(H,29,34)(H,30,33)
InChIKeyDQNUWOMEEUNSCX-UHFFFAOYSA-N
MW490.53 g/mol
LogP2.67
Rot. Bonds7

About 2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide

2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide (PubChem CID 46571611) has the molecular formula C25H29F3N4O3 and a molecular weight of 490.53 g/mol. Its IUPAC name is 2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide.

Molecular Properties

Compound Name2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
PubChem CID46571611
Molecular FormulaC25H29F3N4O3
Molecular Weight490.53 g/mol
Exact Mass490.22
IUPAC Name2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
SMILESCC(C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C25H29F3N4O3/c1-16(23(34)29-15-20(33)30-19-10-9-18(26)21(27)22(19)28)31-11-13-32(14-12-31)24(35)25(2,3)17-7-5-4-6-8-17/h4-10,16H,11-15H2,1-3H3,(H,29,34)(H,30,33)
InChIKeyDQNUWOMEEUNSCX-UHFFFAOYSA-N
XLogP2.67
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 46614754
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 55565482
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 26495308
1-[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 46687552
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 30634339
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide
CID 55680040
N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 42949633
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 120771602
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 46567891
2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 60591570
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 46571507
2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
CID 119268558

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The IUPAC name of 2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide (CID 46571611) is 2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide.
What is the SMILES notation for 2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The canonical SMILES for 2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide is CC(C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The InChIKey is DQNUWOMEEUNSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O3/c1-16(23(34)29-15-20(33)30-19-10-9-18(26)21(27)22(19)28)31-11-13-32(14-12-31)24(35)25(2,3)17-7-5-4-6-8-17/h4-10,16H,11-15H2,1-3H3,(H,29,34)(H,30,33).
What are the key properties of 2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide has a molecular weight of 490.53 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide is sourced from PubChem (CID 46571611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).