methyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate

C11H18N2O5 — CID 7161633

IUPACmethyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate
SMILESCOCC(=O)N1CCN(C(C)=O)C[C@@H]1C(=O)OC
InChIInChI=1S/C11H18N2O5/c1-8(14)12-4-5-13(10(15)7-17-2)9(6-12)11(16)18-3/h9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyFUQDLQOWJJRYSV-SECBINFHSA-N
MW258.27 g/mol
LogP-1.13
Rot. Bonds3

About methyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate

methyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate (PubChem CID 7161633) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate
PubChem CID7161633
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Namemethyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate
SMILESCOCC(=O)N1CCN(C(C)=O)C[C@@H]1C(=O)OC
InChIInChI=1S/C11H18N2O5/c1-8(14)12-4-5-13(10(15)7-17-2)9(6-12)11(16)18-3/h9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyFUQDLQOWJJRYSV-SECBINFHSA-N
XLogP-1.13
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate?
The IUPAC name of methyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate (CID 7161633) is methyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate?
The canonical SMILES for methyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate is COCC(=O)N1CCN(C(C)=O)C[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate?
The InChIKey is FUQDLQOWJJRYSV-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-8(14)12-4-5-13(10(15)7-17-2)9(6-12)11(16)18-3/h9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of methyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate?
methyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate has a molecular weight of 258.27 g/mol, XLogP of -1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-acetyl-1-(2-methoxyacetyl)piperazine-2-carboxylate is sourced from PubChem (CID 7161633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).