[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate

C23H22N2O4 — CID 7542193

IUPAC[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C23H22N2O4/c26-20-15-18(17-11-5-6-12-19(17)24-20)23(28)29-21(16-9-3-1-4-10-16)22(27)25-13-7-2-8-14-25/h1,3-6,9-12,15,21H,2,7-8,13-14H2,(H,24,26)/t21-/m0/s1
InChIKeyYODDQYVYQPOQCK-NRFANRHFSA-N
MW390.44 g/mol
LogP3.44
Rot. Bonds4

About [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate

[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 7542193) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID7542193
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C23H22N2O4/c26-20-15-18(17-11-5-6-12-19(17)24-20)23(28)29-21(16-9-3-1-4-10-16)22(27)25-13-7-2-8-14-25/h1,3-6,9-12,15,21H,2,7-8,13-14H2,(H,24,26)/t21-/m0/s1
InChIKeyYODDQYVYQPOQCK-NRFANRHFSA-N
XLogP3.44
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate with MolForge

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Related Compounds

[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 26008623
[(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 51485480
(2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate
CID 2646060
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 55525859
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dichlorobenzoate
CID 7699428
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate
CID 18198886
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dimethylbenzoate
CID 7699703
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-oxo-3H-phthalazine-1-carboxylate
CID 42883995
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 42915341
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-chloro-4,5-difluorobenzoate
CID 7699910
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate
CID 7715690
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 7542193) is [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate is O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is YODDQYVYQPOQCK-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-20-15-18(17-11-5-6-12-19(17)24-20)23(28)29-21(16-9-3-1-4-10-16)22(27)25-13-7-2-8-14-25/h1,3-6,9-12,15,21H,2,7-8,13-14H2,(H,24,26)/t21-/m0/s1.
What are the key properties of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate?
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 7542193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).