ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate

C24H23FN2O3 — CID 7745228

IUPACethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)C1
InChIInChI=1S/C24H23FN2O3/c1-2-30-24(29)17-6-5-13-27(15-17)23(28)20-14-22(16-9-11-18(25)12-10-16)26-21-8-4-3-7-19(20)21/h3-4,7-12,14,17H,2,5-6,13,15H2,1H3/t17-/m1/s1
InChIKeyFCDUSFRVAAEUNB-QGZVFWFLSA-N
MW406.46 g/mol
LogP4.46
Rot. Bonds4

About ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate (PubChem CID 7745228) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
PubChem CID7745228
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Nameethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)C1
InChIInChI=1S/C24H23FN2O3/c1-2-30-24(29)17-6-5-13-27(15-17)23(28)20-14-22(16-9-11-18(25)12-10-16)26-21-8-4-3-7-19(20)21/h3-4,7-12,14,17H,2,5-6,13,15H2,1H3/t17-/m1/s1
InChIKeyFCDUSFRVAAEUNB-QGZVFWFLSA-N
XLogP4.46
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 40547748
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
ethyl (3R)-1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 51939226
ethyl 1-[7-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 46079626
ethyl 1-[2-(4-acetamidophenyl)quinoline-4-carbonyl]piperidine-4-carboxylate
CID 46375305
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
CID 119646409
[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3532026
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780547
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 119594358
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
CID 39950024
ethyl 1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 43404470

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate (CID 7745228) is ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)C1.
What is the InChIKey of ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate?
The InChIKey is FCDUSFRVAAEUNB-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-2-30-24(29)17-6-5-13-27(15-17)23(28)20-14-22(16-9-11-18(25)12-10-16)26-21-8-4-3-7-19(20)21/h3-4,7-12,14,17H,2,5-6,13,15H2,1H3/t17-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate has a molecular weight of 406.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 7745228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).