methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate

C18H24N2O6 — CID 47005060

IUPACmethyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate
SMILESCCCOc1ccccc1OCC(=O)N1CCNC(=O)C1CC(=O)OC
InChIInChI=1S/C18H24N2O6/c1-3-10-25-14-6-4-5-7-15(14)26-12-16(21)20-9-8-19-18(23)13(20)11-17(22)24-2/h4-7,13H,3,8-12H2,1-2H3,(H,19,23)
InChIKeyYEKIIVYSTLZBID-UHFFFAOYSA-N
MW364.40 g/mol
LogP0.74
Rot. Bonds8

About methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate

methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate (PubChem CID 47005060) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate
PubChem CID47005060
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Namemethyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate
SMILESCCCOc1ccccc1OCC(=O)N1CCNC(=O)C1CC(=O)OC
InChIInChI=1S/C18H24N2O6/c1-3-10-25-14-6-4-5-7-15(14)26-12-16(21)20-9-8-19-18(23)13(20)11-17(22)24-2/h4-7,13H,3,8-12H2,1-2H3,(H,19,23)
InChIKeyYEKIIVYSTLZBID-UHFFFAOYSA-N
XLogP0.74
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 2-[1-[2-(2,3-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17097852
decyl 2-[1-[2-(2-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093891
methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005065
propyl 2-[1-[[2-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 17355988
methyl 2-[1-[2-(4-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 2919627
methyl 2-[1-[2-(4-acetylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 47014513
butyl 2-[1-[2-(2-butoxyanilino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54827843
decyl 2-[1-[2-(2,3-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17097880
propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 9232310
butyl 2-[1-[[2-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 17356044
decyl 2-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-3-oxopiperazin-2-yl]acetate
CID 17093860
2-methylpropyl 2-[3-oxo-1-[(2-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate
CID 17045450

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate?
The IUPAC name of methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate (CID 47005060) is methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate is CCCOc1ccccc1OCC(=O)N1CCNC(=O)C1CC(=O)OC.
What is the InChIKey of methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate?
The InChIKey is YEKIIVYSTLZBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-3-10-25-14-6-4-5-7-15(14)26-12-16(21)20-9-8-19-18(23)13(20)11-17(22)24-2/h4-7,13H,3,8-12H2,1-2H3,(H,19,23).
What are the key properties of methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate?
methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate has a molecular weight of 364.40 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-oxo-1-[2-(2-propoxyphenoxy)acetyl]piperazin-2-yl]acetate is sourced from PubChem (CID 47005060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).