[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate

C20H20ClNO3 — CID 7697298

IUPAC[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
SMILESO=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C20H20ClNO3/c21-17-11-7-10-16(14-17)20(24)25-18(15-8-3-1-4-9-15)19(23)22-12-5-2-6-13-22/h1,3-4,7-11,14,18H,2,5-6,12-13H2/t18-/m0/s1
InChIKeyDMGWAYXMDUSWJD-SFHVURJKSA-N
MW357.84 g/mol
LogP4.25
Rot. Bonds4

About [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate

[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate (PubChem CID 7697298) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate.

Molecular Properties

Compound Name[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
PubChem CID7697298
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
SMILESO=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C20H20ClNO3/c21-17-11-7-10-16(14-17)20(24)25-18(15-8-3-1-4-9-15)19(23)22-12-5-2-6-13-22/h1,3-4,7-11,14,18H,2,5-6,12-13H2/t18-/m0/s1
InChIKeyDMGWAYXMDUSWJD-SFHVURJKSA-N
XLogP4.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dichlorobenzoate
CID 7699428
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate
CID 7705315
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate
CID 7705295
[(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
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 97014651
[(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] 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-pyrrolidin-1-ylethyl] 4-sulfamoylbenzoate
CID 27722541
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate
CID 55390054

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate?
The IUPAC name of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate (CID 7697298) is [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate.
What is the SMILES notation for [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate?
The canonical SMILES for [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate is O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate?
The InChIKey is DMGWAYXMDUSWJD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20ClNO3/c21-17-11-7-10-16(14-17)20(24)25-18(15-8-3-1-4-9-15)19(23)22-12-5-2-6-13-22/h1,3-4,7-11,14,18H,2,5-6,12-13H2/t18-/m0/s1.
What are the key properties of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate?
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate has a molecular weight of 357.84 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate is sourced from PubChem (CID 7697298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).