[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate

C24H26N2O6 — CID 55441558

IUPAC[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)COC(=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C24H26N2O6/c1-31-24(30)20(15-17-7-3-2-4-8-17)25-21(27)16-32-23(29)18-10-12-19(13-11-18)26-14-6-5-9-22(26)28/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3,(H,25,27)
InChIKeyLAJXSWMMXUKLQK-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.26
Rot. Bonds8

About [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate

[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate (PubChem CID 55441558) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate
PubChem CID55441558
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)COC(=O)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C24H26N2O6/c1-31-24(30)20(15-17-7-3-2-4-8-17)25-21(27)16-32-23(29)18-10-12-19(13-11-18)26-14-6-5-9-22(26)28/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3,(H,25,27)
InChIKeyLAJXSWMMXUKLQK-UHFFFAOYSA-N
XLogP2.26
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate with MolForge

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Related Compounds

[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-methylbenzoate
CID 55397418
[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018457
[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8644482
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 55397267
(2-benzamido-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952883
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 55397477
[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8581447
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 55424458
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952828
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
methyl 2-[[2-[4-(2-oxopyrrolidin-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 7953013

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate?
The IUPAC name of [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate (CID 55441558) is [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate.
What is the SMILES notation for [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate?
The canonical SMILES for [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate is COC(=O)C(Cc1ccccc1)NC(=O)COC(=O)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate?
The InChIKey is LAJXSWMMXUKLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-31-24(30)20(15-17-7-3-2-4-8-17)25-21(27)16-32-23(29)18-10-12-19(13-11-18)26-14-6-5-9-22(26)28/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3,(H,25,27).
What are the key properties of [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate?
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate has a molecular weight of 438.48 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate is sourced from PubChem (CID 55441558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).