3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone

C23H23F3N2O2 — CID 25398992

IUPAC3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C23H23F3N2O2/c24-23(25,26)19-9-7-17(8-10-19)21(29)27-14-11-18(12-15-27)22(30)28-13-3-5-16-4-1-2-6-20(16)28/h1-2,4,6-10,18H,3,5,11-15H2
InChIKeyVYFJCOQIFNPVCV-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.54
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone (PubChem CID 25398992) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
PubChem CID25398992
Molecular FormulaC23H23F3N2O2
Molecular Weight416.44 g/mol
Exact Mass416.17
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C23H23F3N2O2/c24-23(25,26)19-9-7-17(8-10-19)21(29)27-14-11-18(12-15-27)22(30)28-13-3-5-16-4-1-2-6-20(16)28/h1-2,4,6-10,18H,3,5,11-15H2
InChIKeyVYFJCOQIFNPVCV-UHFFFAOYSA-N
XLogP4.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55661642
3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
CID 113006321
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
(4-pyrrolidin-1-ylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 56550837
[1-(4-fluorobenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 78776232
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
(4-cyclopentylpiperazin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55584059
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 113006316
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone (CID 25398992) is 3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The InChIKey is VYFJCOQIFNPVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O2/c24-23(25,26)19-9-7-17(8-10-19)21(29)27-14-11-18(12-15-27)22(30)28-13-3-5-16-4-1-2-6-20(16)28/h1-2,4,6-10,18H,3,5,11-15H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone has a molecular weight of 416.44 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 25398992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).