[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate

C24H28N2O5 — CID 7703317

IUPAC[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H28N2O5/c1-2-30-20-13-11-19(12-14-20)23(28)25-17-21(27)31-22(18-9-5-3-6-10-18)24(29)26-15-7-4-8-16-26/h3,5-6,9-14,22H,2,4,7-8,15-17H2,1H3,(H,25,28)/t22-/m0/s1
InChIKeyBQYNUGNSGHQERA-QFIPXVFZSA-N
MW424.50 g/mol
LogP3.11
Rot. Bonds8

About [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate

[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 7703317) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID7703317
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H28N2O5/c1-2-30-20-13-11-19(12-14-20)23(28)25-17-21(27)31-22(18-9-5-3-6-10-18)24(29)26-15-7-4-8-16-26/h3,5-6,9-14,22H,2,4,7-8,15-17H2,1H3,(H,25,28)/t22-/m0/s1
InChIKeyBQYNUGNSGHQERA-QFIPXVFZSA-N
XLogP3.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7703067
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884737
[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884561
[(1R)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884562
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703332
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 7716147
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 46629792
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27323769
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937
benzhydryl 2-[(4-butoxybenzoyl)amino]acetate
CID 7905876
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-(acetamidomethyl)benzoate
CID 18199550
(2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 16596540

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 7703317) is [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)O[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is BQYNUGNSGHQERA-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-2-30-20-13-11-19(12-14-20)23(28)25-17-21(27)31-22(18-9-5-3-6-10-18)24(29)26-15-7-4-8-16-26/h3,5-6,9-14,22H,2,4,7-8,15-17H2,1H3,(H,25,28)/t22-/m0/s1.
What are the key properties of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 424.50 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7703317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).