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

C20H22N2O3 — CID 7602095

IUPAC[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
SMILESNc1ccc(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c21-17-11-9-16(10-12-17)20(24)25-18(15-7-3-1-4-8-15)19(23)22-13-5-2-6-14-22/h1,3-4,7-12,18H,2,5-6,13-14,21H2/t18-/m1/s1
InChIKeyLVYXPZQDPPAXIG-GOSISDBHSA-N
MW338.41 g/mol
LogP3.18
Rot. Bonds4

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

[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate (PubChem CID 7602095) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate.

Molecular Properties

Compound Name[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
PubChem CID7602095
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
SMILESNc1ccc(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c21-17-11-9-16(10-12-17)20(24)25-18(15-7-3-1-4-8-15)19(23)22-13-5-2-6-14-22/h1,3-4,7-12,18H,2,5-6,13-14,21H2/t18-/m1/s1
InChIKeyLVYXPZQDPPAXIG-GOSISDBHSA-N
XLogP3.18
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-sulfamoylbenzoate
CID 27722541
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate
CID 55390054
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
CID 7697298
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-(acetamidomethyl)benzoate
CID 18199550
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101152
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-fluoro-4-methoxybenzoate
CID 7736918
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate
CID 7705315
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7735914
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[2-(methanesulfonamido)ethyl]benzoate
CID 42922412
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate
CID 7705295
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate?
The IUPAC name of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate (CID 7602095) is [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate.
What is the SMILES notation for [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate?
The canonical SMILES for [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate is Nc1ccc(C(=O)O[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate?
The InChIKey is LVYXPZQDPPAXIG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-17-11-9-16(10-12-17)20(24)25-18(15-7-3-1-4-8-15)19(23)22-13-5-2-6-14-22/h1,3-4,7-12,18H,2,5-6,13-14,21H2/t18-/m1/s1.
What are the key properties of [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate?
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate has a molecular weight of 338.41 g/mol, XLogP of 3.18, 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-aminobenzoate is sourced from PubChem (CID 7602095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).