1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone

C20H28F3N3O — CID 124849300

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone
SMILESC[C@@H](NCC(=O)N1CCCc2ccccc21)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C20H28F3N3O/c1-15(16-8-11-25(12-9-16)14-20(21,22)23)24-13-19(27)26-10-4-6-17-5-2-3-7-18(17)26/h2-3,5,7,15-16,24H,4,6,8-14H2,1H3/t15-/m1/s1
InChIKeyOKLHGCNGDNHFSF-OAHLLOKOSA-N
MW383.46 g/mol
LogP3.22
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone (PubChem CID 124849300) has the molecular formula C20H28F3N3O and a molecular weight of 383.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone
PubChem CID124849300
Molecular FormulaC20H28F3N3O
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone
SMILESC[C@@H](NCC(=O)N1CCCc2ccccc21)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C20H28F3N3O/c1-15(16-8-11-25(12-9-16)14-20(21,22)23)24-13-19(27)26-10-4-6-17-5-2-3-7-18(17)26/h2-3,5,7,15-16,24H,4,6,8-14H2,1H3/t15-/m1/s1
InChIKeyOKLHGCNGDNHFSF-OAHLLOKOSA-N
XLogP3.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone with MolForge

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Related Compounds

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CID 109441773
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]propanamide;hydrochloride
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(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
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1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119928044
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119925626
(2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide
CID 94670013
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone (CID 124849300) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone is C[C@@H](NCC(=O)N1CCCc2ccccc21)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone?
The InChIKey is OKLHGCNGDNHFSF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28F3N3O/c1-15(16-8-11-25(12-9-16)14-20(21,22)23)24-13-19(27)26-10-4-6-17-5-2-3-7-18(17)26/h2-3,5,7,15-16,24H,4,6,8-14H2,1H3/t15-/m1/s1.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone has a molecular weight of 383.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]ethanone is sourced from PubChem (CID 124849300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).