N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide

C22H24ClF3N4O3 — CID 167345602

IUPACN-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide
SMILESO=C(COC1CC(C(F)(F)F)C1)NC1CCN(C(=O)Nc2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C22H24ClF3N4O3/c23-15-2-3-18-13(9-15)1-4-19(28-18)29-21(32)30-7-5-16(6-8-30)27-20(31)12-33-17-10-14(11-17)22(24,25)26/h1-4,9,14,16-17H,5-8,10-12H2,(H,27,31)(H,28,29,32)
InChIKeyNQYFUNUXJRSSOP-UHFFFAOYSA-N
MW484.91 g/mol
LogP4.36
Rot. Bonds5

About N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide

N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide (PubChem CID 167345602) has the molecular formula C22H24ClF3N4O3 and a molecular weight of 484.91 g/mol. Its IUPAC name is N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide
PubChem CID167345602
Molecular FormulaC22H24ClF3N4O3
Molecular Weight484.91 g/mol
Exact Mass484.15
IUPAC NameN-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide
SMILESO=C(COC1CC(C(F)(F)F)C1)NC1CCN(C(=O)Nc2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C22H24ClF3N4O3/c23-15-2-3-18-13(9-15)1-4-19(28-18)29-21(32)30-7-5-16(6-8-30)27-20(31)12-33-17-10-14(11-17)22(24,25)26/h1-4,9,14,16-17H,5-8,10-12H2,(H,27,31)(H,28,29,32)
InChIKeyNQYFUNUXJRSSOP-UHFFFAOYSA-N
XLogP4.36
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.91
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperazine-1-carboxamide
CID 167345591
6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide
CID 139517687
N-(5-chloro-1,3-benzothiazol-2-yl)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidine-1-carboxamide
CID 167345608
tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 139512502
[4-[(6-chloroquinoline-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 146506270
1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide
CID 166158823
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-1-yl]quinoline-2-carboxamide
CID 146458048
2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide
CID 139517499
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166158850
2-(4-chlorophenoxy)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 46467019
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide?
The IUPAC name of N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide (CID 167345602) is N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide is O=C(COC1CC(C(F)(F)F)C1)NC1CCN(C(=O)Nc2ccc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide?
The InChIKey is NQYFUNUXJRSSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N4O3/c23-15-2-3-18-13(9-15)1-4-19(28-18)29-21(32)30-7-5-16(6-8-30)27-20(31)12-33-17-10-14(11-17)22(24,25)26/h1-4,9,14,16-17H,5-8,10-12H2,(H,27,31)(H,28,29,32).
What are the key properties of N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide?
N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide has a molecular weight of 484.91 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 167345602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).