N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide

C21H25F3N4O2 — CID 78844945

IUPACN,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)c2cnc3ccccc3c2C(F)(F)F)CC1
InChIInChI=1S/C21H25F3N4O2/c1-3-27(4-2)18(29)14-26-9-11-28(12-10-26)20(30)16-13-25-17-8-6-5-7-15(17)19(16)21(22,23)24/h5-8,13H,3-4,9-12,14H2,1-2H3
InChIKeyBSXCAWYHKFYAAU-UHFFFAOYSA-N
MW422.45 g/mol
LogP2.88
Rot. Bonds5

About N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide

N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide (PubChem CID 78844945) has the molecular formula C21H25F3N4O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide
PubChem CID78844945
Molecular FormulaC21H25F3N4O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC NameN,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)c2cnc3ccccc3c2C(F)(F)F)CC1
InChIInChI=1S/C21H25F3N4O2/c1-3-27(4-2)18(29)14-26-9-11-28(12-10-26)20(30)16-13-25-17-8-6-5-7-15(17)19(16)21(22,23)24/h5-8,13H,3-4,9-12,14H2,1-2H3
InChIKeyBSXCAWYHKFYAAU-UHFFFAOYSA-N
XLogP2.88
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone
CID 78844795
2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 39488256
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone
CID 78856397
N,N-diethyl-2-[4-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 112820675
oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 78844521
N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide
CID 78891005
2-[4-[2-(benzotriazol-1-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447071
2-[4-(6-chloroquinoline-8-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55871061
N,N-diethyl-2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 55829907
N,N-diethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 78788187
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 51283875
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55447068

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide (CID 78844945) is N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(C(=O)c2cnc3ccccc3c2C(F)(F)F)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is BSXCAWYHKFYAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O2/c1-3-27(4-2)18(29)14-26-9-11-28(12-10-26)20(30)16-13-25-17-8-6-5-7-15(17)19(16)21(22,23)24/h5-8,13H,3-4,9-12,14H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 422.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78844945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).