quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone

C15H14F3N3O2 — CID 157013388

IUPACquinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccc2nccnc2c1)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-3-7-21(8-4-11)14(22)10-1-2-12-13(9-10)20-6-5-19-12/h1-2,5-6,9,11H,3-4,7-8H2
InChIKeyDBFDKNOQNCZERM-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.77
Rot. Bonds2

About quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone

quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone (PubChem CID 157013388) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Namequinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone
PubChem CID157013388
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Namequinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccc2nccnc2c1)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-3-7-21(8-4-11)14(22)10-1-2-12-13(9-10)20-6-5-19-12/h1-2,5-6,9,11H,3-4,7-8H2
InChIKeyDBFDKNOQNCZERM-UHFFFAOYSA-N
XLogP2.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 121197527
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 163348189
[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 62875893
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
CID 121184096
(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 55185515
N-cyclopropyl-N-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23641673
(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 71793080
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
[7-(2-fluorophenyl)-1,4-thiazepan-4-yl]-quinoxalin-6-ylmethanone
CID 90630265
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 155801183

Frequently Asked Questions

What is the IUPAC name of quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone?
The IUPAC name of quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone (CID 157013388) is quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone?
The canonical SMILES for quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone is O=C(c1ccc2nccnc2c1)N1CCC(OC(F)(F)F)CC1.
What is the InChIKey of quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone?
The InChIKey is DBFDKNOQNCZERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-3-7-21(8-4-11)14(22)10-1-2-12-13(9-10)20-6-5-19-12/h1-2,5-6,9,11H,3-4,7-8H2.
What are the key properties of quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone?
quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone has a molecular weight of 325.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 157013388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).