N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide

C18H24F3N3O3 — CID 50779268

IUPACN-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide
SMILESCOCCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3N3O3/c1-27-13-12-24(9-6-16(25)23-10-7-22-8-11-23)17(26)14-2-4-15(5-3-14)18(19,20)21/h2-5,22H,6-13H2,1H3
InChIKeyGHUCKHWNKDTJHC-UHFFFAOYSA-N
MW387.40 g/mol
LogP1.62
Rot. Bonds7

About N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide

N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide (PubChem CID 50779268) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide
PubChem CID50779268
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC NameN-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide
SMILESCOCCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3N3O3/c1-27-13-12-24(9-6-16(25)23-10-7-22-8-11-23)17(26)14-2-4-15(5-3-14)18(19,20)21/h2-5,22H,6-13H2,1H3
InChIKeyGHUCKHWNKDTJHC-UHFFFAOYSA-N
XLogP1.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779269
4-bromo-N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779430
4-bromo-N-(3-methoxypropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779713
N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide
CID 93057923
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide
CID 93057955
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-propan-2-yloxypropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057484
4-cyano-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide;2,2,2-trifluoroacetic acid
CID 146057453
4-bromo-N-butyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057504
4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779310
4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779618
3-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-piperidin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057582

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide (CID 50779268) is N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide is COCCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide?
The InChIKey is GHUCKHWNKDTJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-27-13-12-24(9-6-16(25)23-10-7-22-8-11-23)17(26)14-2-4-15(5-3-14)18(19,20)21/h2-5,22H,6-13H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide?
N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide has a molecular weight of 387.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 50779268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).