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

C24H28N2O5 — CID 7703067

IUPAC[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)O[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C24H28N2O5/c1-2-30-20-14-8-7-13-19(20)23(28)25-17-21(27)31-22(18-11-5-3-6-12-18)24(29)26-15-9-4-10-16-26/h3,5-8,11-14,22H,2,4,9-10,15-17H2,1H3,(H,25,28)/t22-/m0/s1
InChIKeyAFHBWBFGFGYFGY-QFIPXVFZSA-N
MW424.50 g/mol
LogP3.11
Rot. Bonds8

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

[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 7703067) 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-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID7703067
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)O[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C24H28N2O5/c1-2-30-20-14-8-7-13-19(20)23(28)25-17-21(27)31-22(18-11-5-3-6-12-18)24(29)26-15-9-4-10-16-26/h3,5-8,11-14,22H,2,4,9-10,15-17H2,1H3,(H,25,28)/t22-/m0/s1
InChIKeyAFHBWBFGFGYFGY-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

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Related Compounds

[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703317
2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 45155494
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 27670539
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951392
[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 42963726
[(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
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807864
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884737
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(2-ethoxybenzoyl)amino]acetate (CID 7703067) is [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)O[C@H](C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is AFHBWBFGFGYFGY-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-2-30-20-14-8-7-13-19(20)23(28)25-17-21(27)31-22(18-11-5-3-6-12-18)24(29)26-15-9-4-10-16-26/h3,5-8,11-14,22H,2,4,9-10,15-17H2,1H3,(H,25,28)/t22-/m0/s1.
What are the key properties of [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(2-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-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7703067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).