methyl (2R)-1,4-diacetylpiperazine-2-carboxylate

C10H16N2O4 — CID 7161619

IUPACmethyl (2R)-1,4-diacetylpiperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(C)=O)CCN1C(C)=O
InChIInChI=1S/C10H16N2O4/c1-7(13)11-4-5-12(8(2)14)9(6-11)10(15)16-3/h9H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyHLAAQIYVGLQMGR-SECBINFHSA-N
MW228.25 g/mol
LogP-0.76
Rot. Bonds1

About methyl (2R)-1,4-diacetylpiperazine-2-carboxylate

methyl (2R)-1,4-diacetylpiperazine-2-carboxylate (PubChem CID 7161619) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl (2R)-1,4-diacetylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1,4-diacetylpiperazine-2-carboxylate
PubChem CID7161619
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl (2R)-1,4-diacetylpiperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(C(C)=O)CCN1C(C)=O
InChIInChI=1S/C10H16N2O4/c1-7(13)11-4-5-12(8(2)14)9(6-11)10(15)16-3/h9H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyHLAAQIYVGLQMGR-SECBINFHSA-N
XLogP-0.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1,4-diacetylpiperazine-2-carboxylate?
The IUPAC name of methyl (2R)-1,4-diacetylpiperazine-2-carboxylate (CID 7161619) is methyl (2R)-1,4-diacetylpiperazine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1,4-diacetylpiperazine-2-carboxylate?
The canonical SMILES for methyl (2R)-1,4-diacetylpiperazine-2-carboxylate is COC(=O)[C@H]1CN(C(C)=O)CCN1C(C)=O.
What is the InChIKey of methyl (2R)-1,4-diacetylpiperazine-2-carboxylate?
The InChIKey is HLAAQIYVGLQMGR-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7(13)11-4-5-12(8(2)14)9(6-11)10(15)16-3/h9H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of methyl (2R)-1,4-diacetylpiperazine-2-carboxylate?
methyl (2R)-1,4-diacetylpiperazine-2-carboxylate has a molecular weight of 228.25 g/mol, XLogP of -0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1,4-diacetylpiperazine-2-carboxylate is sourced from PubChem (CID 7161619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).