[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate

C21H20N2O3 — CID 7705315

IUPAC[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C21H20N2O3/c22-15-16-8-7-11-18(14-16)21(25)26-19(17-9-3-1-4-10-17)20(24)23-12-5-2-6-13-23/h1,3-4,7-11,14,19H,2,5-6,12-13H2/t19-/m1/s1
InChIKeyJBJYASPNQHCMQF-LJQANCHMSA-N
MW348.40 g/mol
LogP3.47
Rot. Bonds4

About [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate

[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate (PubChem CID 7705315) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate.

Molecular Properties

Compound Name[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate
PubChem CID7705315
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate
SMILESN#Cc1cccc(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C21H20N2O3/c22-15-16-8-7-11-18(14-16)21(25)26-19(17-9-3-1-4-10-17)20(24)23-12-5-2-6-13-23/h1,3-4,7-11,14,19H,2,5-6,12-13H2/t19-/m1/s1
InChIKeyJBJYASPNQHCMQF-LJQANCHMSA-N
XLogP3.47
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate
CID 7705295
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
CID 18199101
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
CID 7697298
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile
CID 7697193
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-fluoro-4-methoxybenzoate
CID 7736918
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101152
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dichlorobenzoate
CID 7699428
4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
CID 71901975
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-sulfamoylbenzoate
CID 27722541
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate
CID 18198886

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate?
The IUPAC name of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate (CID 7705315) is [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate.
What is the SMILES notation for [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate?
The canonical SMILES for [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate is N#Cc1cccc(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)c1.
What is the InChIKey of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate?
The InChIKey is JBJYASPNQHCMQF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20N2O3/c22-15-16-8-7-11-18(14-16)21(25)26-19(17-9-3-1-4-10-17)20(24)23-12-5-2-6-13-23/h1,3-4,7-11,14,19H,2,5-6,12-13H2/t19-/m1/s1.
What are the key properties of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate?
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate has a molecular weight of 348.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate is sourced from PubChem (CID 7705315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).