N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

C19H27F3N4O2 — CID 31315600

IUPACN-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H27F3N4O2/c1-3-7-23-17(27)13-24(2)18(28)14-25-8-10-26(11-9-25)16-6-4-5-15(12-16)19(20,21)22/h4-6,12H,3,7-11,13-14H2,1-2H3,(H,23,27)
InChIKeyRLAAPFRIQIKNPY-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.81
Rot. Bonds7

About N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 31315600) has the molecular formula C19H27F3N4O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID31315600
Molecular FormulaC19H27F3N4O2
Molecular Weight400.45 g/mol
Exact Mass400.21
IUPAC NameN-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H27F3N4O2/c1-3-7-23-17(27)13-24(2)18(28)14-25-8-10-26(11-9-25)16-6-4-5-15(12-16)19(20,21)22/h4-6,12H,3,7-11,13-14H2,1-2H3,(H,23,27)
InChIKeyRLAAPFRIQIKNPY-UHFFFAOYSA-N
XLogP1.81
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892
N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8597726
N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190
N-(2-methyl-4-oxopentan-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 51111743
N-(tert-butylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 2088202
methyl N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 70526234
N,N,4-trimethyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 22199140
N-(1-phenylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199208
N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 3229501
N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466202
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 31315600) is N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is CCCNC(=O)CN(C)C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is RLAAPFRIQIKNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O2/c1-3-7-23-17(27)13-24(2)18(28)14-25-8-10-26(11-9-25)16-6-4-5-15(12-16)19(20,21)22/h4-6,12H,3,7-11,13-14H2,1-2H3,(H,23,27).
What are the key properties of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 400.45 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 31315600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).