6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide

C22H23ClF3N3O4 — CID 139517687

IUPAC6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide
SMILESO=C(NC1CCN(C(=O)COC2CC(OC(F)(F)F)C2)CC1)c1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C22H23ClF3N3O4/c23-14-2-4-18-13(9-14)1-3-19(28-18)21(31)27-15-5-7-29(8-6-15)20(30)12-32-16-10-17(11-16)33-22(24,25)26/h1-4,9,15-17H,5-8,10-12H2,(H,27,31)
InChIKeyXKBLISIJDYIWIU-UHFFFAOYSA-N
MW485.89 g/mol
LogP3.69
Rot. Bonds6

About 6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide

6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide (PubChem CID 139517687) has the molecular formula C22H23ClF3N3O4 and a molecular weight of 485.89 g/mol. Its IUPAC name is 6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide
PubChem CID139517687
Molecular FormulaC22H23ClF3N3O4
Molecular Weight485.89 g/mol
Exact Mass485.13
IUPAC Name6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide
SMILESO=C(NC1CCN(C(=O)COC2CC(OC(F)(F)F)C2)CC1)c1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C22H23ClF3N3O4/c23-14-2-4-18-13(9-14)1-3-19(28-18)21(31)27-15-5-7-29(8-6-15)20(30)12-32-16-10-17(11-16)33-22(24,25)26/h1-4,9,15-17H,5-8,10-12H2,(H,27,31)
InChIKeyXKBLISIJDYIWIU-UHFFFAOYSA-N
XLogP3.69
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.89
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide with MolForge

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Related Compounds

[4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 146506270
tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 139512502
2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide
CID 139517499
N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide
CID 167345602
6-chloro-N-[1-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]piperidin-4-yl]quinoline-2-carboxamide
CID 158469591
N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperazine-1-carboxamide
CID 167345591
N-[4-(aminomethyl)cyclohexyl]-6-chloroquinoline-2-carboxamide
CID 155391375
1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide
CID 166158779
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide
CID 146458048
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278
tert-butyl 4-[[(6-chloroquinoline-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 155391643
6-chloro-N-[4-[2-(4-chloro-3-fluorophenoxy)ethylamino]cyclohexyl]quinoline-2-carboxamide
CID 138678465

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide (CID 139517687) is 6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide is O=C(NC1CCN(C(=O)COC2CC(OC(F)(F)F)C2)CC1)c1ccc2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide?
The InChIKey is XKBLISIJDYIWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N3O4/c23-14-2-4-18-13(9-14)1-3-19(28-18)21(31)27-15-5-7-29(8-6-15)20(30)12-32-16-10-17(11-16)33-22(24,25)26/h1-4,9,15-17H,5-8,10-12H2,(H,27,31).
What are the key properties of 6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide?
6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide has a molecular weight of 485.89 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide is sourced from PubChem (CID 139517687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).