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

C19H27F3N4O2 — CID 9348957

IUPACN-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
SMILESCC(C)CNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H27F3N4O2/c1-14(2)11-23-17(27)12-25-7-9-26(10-8-25)13-18(28)24-16-6-4-3-5-15(16)19(20,21)22/h3-6,14H,7-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeySEHUAOJIVFCGEN-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.03
Rot. Bonds7

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

N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide (PubChem CID 9348957) has the molecular formula C19H27F3N4O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
PubChem CID9348957
Molecular FormulaC19H27F3N4O2
Molecular Weight400.45 g/mol
Exact Mass400.21
IUPAC NameN-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
SMILESCC(C)CNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H27F3N4O2/c1-14(2)11-23-17(27)12-25-7-9-26(10-8-25)13-18(28)24-16-6-4-3-5-15(16)19(20,21)22/h3-6,14H,7-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeySEHUAOJIVFCGEN-UHFFFAOYSA-N
XLogP2.03
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55565664
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-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 133382760
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-N-(4-phenylbutan-2-yl)piperazine-1-carboxamide
CID 55457980
N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 30964057
2-[4-[2-(4-methylphenyl)sulfanylpropanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547533
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
2-[4-(2-adamantyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22193948

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide (CID 9348957) is N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide is CC(C)CNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide?
The InChIKey is SEHUAOJIVFCGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O2/c1-14(2)11-23-17(27)12-25-7-9-26(10-8-25)13-18(28)24-16-6-4-3-5-15(16)19(20,21)22/h3-6,14H,7-13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide?
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide has a molecular weight of 400.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9348957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).