methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate

C19H24N2O6 — CID 43886925

IUPACmethyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CC(=O)N1CCNC(=O)C1CC(=O)OCCCc1ccccc1
InChIInChI=1S/C19H24N2O6/c1-26-17(23)13-16(22)21-10-9-20-19(25)15(21)12-18(24)27-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,20,25)
InChIKeyWUKZUTPDSGHWOD-UHFFFAOYSA-N
MW376.41 g/mol
LogP0.44
Rot. Bonds8

About methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate

methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate (PubChem CID 43886925) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate
PubChem CID43886925
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Namemethyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CC(=O)N1CCNC(=O)C1CC(=O)OCCCc1ccccc1
InChIInChI=1S/C19H24N2O6/c1-26-17(23)13-16(22)21-10-9-20-19(25)15(21)12-18(24)27-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,20,25)
InChIKeyWUKZUTPDSGHWOD-UHFFFAOYSA-N
XLogP0.44
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-phenylpropyl 2-[(2R)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083201
tert-butyl (2S)-3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazine-1-carboxylate
CID 7425634
2-phenylethyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083206
3-phenylpropyl 2-[1-(2-acetamido-3-phenylprop-2-enoyl)-3-oxopiperazin-2-yl]acetate
CID 4947945
butyl 2-[1-[2-(benzylamino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54813759
3-phenylpropyl 2-[1-[(2-methoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 4933920
3-phenylpropyl 2-[(2R)-1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 42426956
methyl 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetate
CID 34534079
butyl 2-[1-[2-[benzyl(methyl)amino]acetyl]-3-oxopiperazin-2-yl]acetate
CID 54808784
3-phenylpropyl 2-[1-[(4-bromobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 54792276
3-phenylpropyl 5-oxo-5-[[3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carbothioyl]amino]pentanoate
CID 4923389
3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17122760

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate (CID 43886925) is methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate is COC(=O)CC(=O)N1CCNC(=O)C1CC(=O)OCCCc1ccccc1.
What is the InChIKey of methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate?
The InChIKey is WUKZUTPDSGHWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-26-17(23)13-16(22)21-10-9-20-19(25)15(21)12-18(24)27-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,20,25).
What are the key properties of methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate?
methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate has a molecular weight of 376.41 g/mol, XLogP of 0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 43886925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).