N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide

C25H32F3N5O2 — CID 30964057

IUPACN-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
SMILESCN(CCCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C25H32F3N5O2/c1-31(20-8-3-2-4-9-20)13-7-12-29-23(34)18-32-14-16-33(17-15-32)19-24(35)30-22-11-6-5-10-21(22)25(26,27)28/h2-6,8-11H,7,12-19H2,1H3,(H,29,34)(H,30,35)
InChIKeyZKIKQWAEOCYNIW-UHFFFAOYSA-N
MW491.56 g/mol
LogP2.90
Rot. Bonds10

About N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide

N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide (PubChem CID 30964057) has the molecular formula C25H32F3N5O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
PubChem CID30964057
Molecular FormulaC25H32F3N5O2
Molecular Weight491.56 g/mol
Exact Mass491.25
IUPAC NameN-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
SMILESCN(CCCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C25H32F3N5O2/c1-31(20-8-3-2-4-9-20)13-7-12-29-23(34)18-32-14-16-33(17-15-32)19-24(35)30-22-11-6-5-10-21(22)25(26,27)28/h2-6,8-11H,7,12-19H2,1H3,(H,29,34)(H,30,35)
InChIKeyZKIKQWAEOCYNIW-UHFFFAOYSA-N
XLogP2.90
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide
CID 29008728
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429545
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429563
2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78822355
2-(4-aminopiperidin-1-yl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 79323412
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30963766
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9224136
N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
CID 55663165

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide (CID 30964057) is N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide is CN(CCCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide?
The InChIKey is ZKIKQWAEOCYNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O2/c1-31(20-8-3-2-4-9-20)13-7-12-29-23(34)18-32-14-16-33(17-15-32)19-24(35)30-22-11-6-5-10-21(22)25(26,27)28/h2-6,8-11H,7,12-19H2,1H3,(H,29,34)(H,30,35).
What are the key properties of N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide?
N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide has a molecular weight of 491.56 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30964057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).