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

C22H24ClF3N4O4 — CID 166158779

IUPAC1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(N(C(=O)COC2CC(OC(F)(F)F)C2)c2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C22H24ClF3N4O4/c23-15-2-3-18-14(9-15)1-4-19(28-18)30(29-7-5-13(6-8-29)21(27)32)20(31)12-33-16-10-17(11-16)34-22(24,25)26/h1-4,9,13,16-17H,5-8,10-12H2,(H2,27,32)
InChIKeyUFDVIOCGTWQNFP-UHFFFAOYSA-N
MW500.91 g/mol
LogP3.42
Rot. Bonds7

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

1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide (PubChem CID 166158779) has the molecular formula C22H24ClF3N4O4 and a molecular weight of 500.91 g/mol. Its IUPAC name is 1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide
PubChem CID166158779
Molecular FormulaC22H24ClF3N4O4
Molecular Weight500.91 g/mol
Exact Mass500.14
IUPAC Name1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(N(C(=O)COC2CC(OC(F)(F)F)C2)c2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C22H24ClF3N4O4/c23-15-2-3-18-14(9-15)1-4-19(28-18)30(29-7-5-13(6-8-29)21(27)32)20(31)12-33-16-10-17(11-16)34-22(24,25)26/h1-4,9,13,16-17H,5-8,10-12H2,(H2,27,32)
InChIKeyUFDVIOCGTWQNFP-UHFFFAOYSA-N
XLogP3.42
TPSA97.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.91
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-chloro-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]quinoline-2-carboxamide
CID 139517687
N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperazine-1-carboxamide
CID 167345591
2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl chloride
CID 139512501
N-(6-chloroquinolin-2-yl)-4-[[2-[3-(trifluoromethyl)cyclobutyl]oxyacetyl]amino]piperidine-1-carboxamide
CID 167345602
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 9477620
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7867862
1-amino-N-(6-chloroquinolin-2-yl)piperidine-4-carboxamide
CID 166158823
1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 30504708
2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone
CID 63906456
[1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl carbamate
CID 175221856
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
(2R)-6-chloro-4-oxo-N-[5-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-2-bicyclo[2.2.1]heptanyl]-2,3-dihydrochromene-2-carboxamide
CID 155254373

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide?
The IUPAC name of 1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide (CID 166158779) is 1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide?
The canonical SMILES for 1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide is NC(=O)C1CCN(N(C(=O)COC2CC(OC(F)(F)F)C2)c2ccc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide?
The InChIKey is UFDVIOCGTWQNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N4O4/c23-15-2-3-18-14(9-15)1-4-19(28-18)30(29-7-5-13(6-8-29)21(27)32)20(31)12-33-16-10-17(11-16)34-22(24,25)26/h1-4,9,13,16-17H,5-8,10-12H2,(H2,27,32).
What are the key properties of 1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide?
1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide has a molecular weight of 500.91 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloroquinolin-2-yl)-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]piperidine-4-carboxamide is sourced from PubChem (CID 166158779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).