1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one

C23H27F3N4O2 — CID 131899215

IUPAC1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one
SMILESO=C1CCCCN1CCCC(=O)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C23H27F3N4O2/c24-23(25,26)20-16-19(17-6-1-2-7-18(17)27-20)28-12-14-30(15-13-28)22(32)9-5-11-29-10-4-3-8-21(29)31/h1-2,6-7,16H,3-5,8-15H2
InChIKeyNEOPUYHWQHLMIM-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.69
Rot. Bonds5

About 1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one

1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one (PubChem CID 131899215) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one
PubChem CID131899215
Molecular FormulaC23H27F3N4O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC Name1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one
SMILESO=C1CCCCN1CCCC(=O)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C23H27F3N4O2/c24-23(25,26)20-16-19(17-6-1-2-7-18(17)27-20)28-12-14-30(15-13-28)22(32)9-5-11-29-10-4-3-8-21(29)31/h1-2,6-7,16H,3-5,8-15H2
InChIKeyNEOPUYHWQHLMIM-UHFFFAOYSA-N
XLogP3.69
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dichlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 2809481
(4-chlorophenyl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 2822624
(5-methyl-1-propylpyrazol-4-yl)-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 131949132
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinoline
CID 2822622
2-[4-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]piperidine-1-carbonyl]phenyl]acetamide
CID 166110468
1-[4-oxo-4-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butyl]pyrrolidin-2-one
CID 70735584
1-[3-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]azepan-2-one
CID 70711022
tert-butyl (3S)-3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 166110445
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid
CID 56702528
1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one
CID 74236287
1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 14615409
1-[4-oxo-4-[2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butyl]piperidin-2-one
CID 143301914

Frequently Asked Questions

What is the IUPAC name of 1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one?
The IUPAC name of 1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one (CID 131899215) is 1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one.
What is the SMILES notation for 1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one?
The canonical SMILES for 1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one is O=C1CCCCN1CCCC(=O)N1CCN(c2cc(C(F)(F)F)nc3ccccc23)CC1.
What is the InChIKey of 1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one?
The InChIKey is NEOPUYHWQHLMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c24-23(25,26)20-16-19(17-6-1-2-7-18(17)27-20)28-12-14-30(15-13-28)22(32)9-5-11-29-10-4-3-8-21(29)31/h1-2,6-7,16H,3-5,8-15H2.
What are the key properties of 1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one?
1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one has a molecular weight of 448.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-oxo-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]butyl]piperidin-2-one is sourced from PubChem (CID 131899215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).