N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide

C18H24F3N3O3 — CID 87032175

IUPACN-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H24F3N3O3/c1-13(27-12-18(19,20)21)17(26)22-15-5-3-14(4-6-15)11-16(25)24-9-7-23(2)8-10-24/h3-6,13H,7-12H2,1-2H3,(H,22,26)
InChIKeyUAVXHFGEDWNADO-UHFFFAOYSA-N
MW387.40 g/mol
LogP1.91
Rot. Bonds6

About N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 87032175) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID87032175
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC NameN-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H24F3N3O3/c1-13(27-12-18(19,20)21)17(26)22-15-5-3-14(4-6-15)11-16(25)24-9-7-23(2)8-10-24/h3-6,13H,7-12H2,1-2H3,(H,22,26)
InChIKeyUAVXHFGEDWNADO-UHFFFAOYSA-N
XLogP1.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide
CID 119860866
N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 16789668
N-(4-pyrrolidin-1-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 42960613
(2R)-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 99587635
1-[(2S)-3-methylbutan-2-yl]-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]urea
CID 94655505
4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide
CID 42960594
N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166406056
(2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide
CID 52816902
(2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38908113
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38884944
3-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-2-methyl-3-oxopropanoic acid
CID 138001729
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 87032175) is N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is UAVXHFGEDWNADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-13(27-12-18(19,20)21)17(26)22-15-5-3-14(4-6-15)11-16(25)24-9-7-23(2)8-10-24/h3-6,13H,7-12H2,1-2H3,(H,22,26).
What are the key properties of N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 387.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 87032175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).