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

C19H27F3N4O3 — CID 9435405

IUPACN-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
SMILESCC(C)CNC(=O)CN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H27F3N4O3/c1-14(2)11-23-17(27)12-25-7-9-26(10-8-25)13-18(28)24-15-3-5-16(6-4-15)29-19(20,21)22/h3-6,14H,7-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyWGRQJQWPXKLWCR-UHFFFAOYSA-N
MW416.44 g/mol
LogP1.91
Rot. Bonds8

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

N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide (PubChem CID 9435405) has the molecular formula C19H27F3N4O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
PubChem CID9435405
Molecular FormulaC19H27F3N4O3
Molecular Weight416.44 g/mol
Exact Mass416.20
IUPAC NameN-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
SMILESCC(C)CNC(=O)CN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C19H27F3N4O3/c1-14(2)11-23-17(27)12-25-7-9-26(10-8-25)13-18(28)24-15-3-5-16(6-4-15)29-19(20,21)22/h3-6,14H,7-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyWGRQJQWPXKLWCR-UHFFFAOYSA-N
XLogP1.91
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 35160115
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
N-[(4-fluorophenyl)methyl]-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
CID 29164830
2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
CID 46527465
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907
2-[4-(4-methylbenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020888
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 34781907
2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 25496752
2-[4-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164788
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 110019704
2-[4-[(1S,2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020912
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8804725

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide (CID 9435405) is N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide is CC(C)CNC(=O)CN1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide?
The InChIKey is WGRQJQWPXKLWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O3/c1-14(2)11-23-17(27)12-25-7-9-26(10-8-25)13-18(28)24-15-3-5-16(6-4-15)29-19(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-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide?
N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide has a molecular weight of 416.44 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9435405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).