N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide

C17H22F3N3O2 — CID 113130317

IUPACN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H22F3N3O2/c1-13(24)23(15-6-4-3-5-14(15)17(18,19)20)8-7-16(25)22-11-9-21(2)10-12-22/h3-6H,7-12H2,1-2H3
InChIKeyBIOOYDHWASVBSY-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.22
Rot. Bonds4

About N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide

N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 113130317) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID113130317
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC NameN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H22F3N3O2/c1-13(24)23(15-6-4-3-5-14(15)17(18,19)20)8-7-16(25)22-11-9-21(2)10-12-22/h3-6H,7-12H2,1-2H3
InChIKeyBIOOYDHWASVBSY-UHFFFAOYSA-N
XLogP2.22
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 99788111
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113170409
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide
CID 113133616
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide
CID 113130303
1-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109017301
1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
CID 171907358
N-(4-acetylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113130796
N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113133960
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
CID 113130347
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113130349
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
N-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127019

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 113130317) is N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CCC(=O)N1CCN(C)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BIOOYDHWASVBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-13(24)23(15-6-4-3-5-14(15)17(18,19)20)8-7-16(25)22-11-9-21(2)10-12-22/h3-6H,7-12H2,1-2H3.
What are the key properties of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 357.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113130317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).