[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate

C20H20ClNO4 — CID 7715690

IUPAC[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate
SMILESO=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(Cl)cc1O
InChIInChI=1S/C20H20ClNO4/c21-15-9-10-16(17(23)13-15)20(25)26-18(14-7-3-1-4-8-14)19(24)22-11-5-2-6-12-22/h1,3-4,7-10,13,18,23H,2,5-6,11-12H2/t18-/m1/s1
InChIKeyWVXTVAAEDDOIOO-GOSISDBHSA-N
MW373.84 g/mol
LogP3.96
Rot. Bonds4

About [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate

[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate (PubChem CID 7715690) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate
PubChem CID7715690
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate
SMILESO=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(Cl)cc1O
InChIInChI=1S/C20H20ClNO4/c21-15-9-10-16(17(23)13-15)20(25)26-18(14-7-3-1-4-8-14)19(24)22-11-5-2-6-12-22/h1,3-4,7-10,13,18,23H,2,5-6,11-12H2/t18-/m1/s1
InChIKeyWVXTVAAEDDOIOO-GOSISDBHSA-N
XLogP3.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dichlorobenzoate
CID 7699428
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-chloro-4,5-difluorobenzoate
CID 7699910
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
CID 7697298
(2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate
CID 18138363
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8638554
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-hydroxy-5-methoxybenzoate
CID 7716245
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 97014651
(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
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-fluoro-4-methoxybenzoate
CID 8837625
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-chloro-5-nitrobenzoate
CID 55390874
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-chloro-5-nitrobenzoate
CID 7696638

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate?
The IUPAC name of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate (CID 7715690) is [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate.
What is the SMILES notation for [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate?
The canonical SMILES for [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate is O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(Cl)cc1O.
What is the InChIKey of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate?
The InChIKey is WVXTVAAEDDOIOO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20ClNO4/c21-15-9-10-16(17(23)13-15)20(25)26-18(14-7-3-1-4-8-14)19(24)22-11-5-2-6-12-22/h1,3-4,7-10,13,18,23H,2,5-6,11-12H2/t18-/m1/s1.
What are the key properties of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate?
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate has a molecular weight of 373.84 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 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] 4-chloro-2-hydroxybenzoate is sourced from PubChem (CID 7715690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).