N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide

C28H30F3N3O2 — CID 66596089

IUPACN-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2c1
InChIInChI=1S/C28H30F3N3O2/c29-28(30,31)21-6-8-23(9-7-21)34-14-12-24(13-15-34)36-25-10-11-26-19(17-25)16-20(18-32-26)27(35)33-22-4-2-1-3-5-22/h6-11,16-18,22,24H,1-5,12-15H2,(H,33,35)
InChIKeyHKXAAMLNLGAMEF-UHFFFAOYSA-N
MW497.56 g/mol
LogP6.36
Rot. Bonds5

About N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide

N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide (PubChem CID 66596089) has the molecular formula C28H30F3N3O2 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide
PubChem CID66596089
Molecular FormulaC28H30F3N3O2
Molecular Weight497.56 g/mol
Exact Mass497.23
IUPAC NameN-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2c1
InChIInChI=1S/C28H30F3N3O2/c29-28(30,31)21-6-8-23(9-7-21)34-14-12-24(13-15-34)36-25-10-11-26-19(17-25)16-20(18-32-26)27(35)33-22-4-2-1-3-5-22/h6-11,16-18,22,24H,1-5,12-15H2,(H,33,35)
InChIKeyHKXAAMLNLGAMEF-UHFFFAOYSA-N
XLogP6.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.56
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

HPGDS inhibitor 2
CID 129247606
Ethyl 6-methoxy-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylate
CID 1272562
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]quinoline-3-carboxamide
CID 15511440
Biarylether amide quinoline, 4g
CID 44123769
Biarylether amide quinoline, 4b
CID 44472992
Biarylether amide quinoline, 4c
CID 44472993
Biarylether amide quinoline, 4d
CID 44472994
Biarylether amide quinoline, 4f
CID 44472996
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexyl]-pyridine-3-carboxamide
CID 89463724
Ethyl 1-[6-ethoxy-3-(4-methylbenzoyl)quinolin-4-yl]piperidine-3-carboxylate
CID 16010859
6-(Benzyloxy)-4-(Ethylsulfanyl)-3-[(Morpholin-4-Yl)
CID 124081735

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide (CID 66596089) is N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide is O=C(NC1CCCCC1)c1cnc2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2c1.
What is the InChIKey of N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide?
The InChIKey is HKXAAMLNLGAMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N3O2/c29-28(30,31)21-6-8-23(9-7-21)34-14-12-24(13-15-34)36-25-10-11-26-19(17-25)16-20(18-32-26)27(35)33-22-4-2-1-3-5-22/h6-11,16-18,22,24H,1-5,12-15H2,(H,33,35).
What are the key properties of N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide?
N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyquinoline-3-carboxamide is sourced from PubChem (CID 66596089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).