methyl 1-acetylpiperazine-2-carboxylate

C8H14N2O3 — CID 45115682

IUPACmethyl 1-acetylpiperazine-2-carboxylate
SMILESCOC(=O)C1CNCCN1C(C)=O
InChIInChI=1S/C8H14N2O3/c1-6(11)10-4-3-9-5-7(10)8(12)13-2/h7,9H,3-5H2,1-2H3
InChIKeyQSVNWNACIFWWIP-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.02
Rot. Bonds1

About methyl 1-acetylpiperazine-2-carboxylate

methyl 1-acetylpiperazine-2-carboxylate (PubChem CID 45115682) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 1-acetylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetylpiperazine-2-carboxylate
PubChem CID45115682
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 1-acetylpiperazine-2-carboxylate
SMILESCOC(=O)C1CNCCN1C(C)=O
InChIInChI=1S/C8H14N2O3/c1-6(11)10-4-3-9-5-7(10)8(12)13-2/h7,9H,3-5H2,1-2H3
InChIKeyQSVNWNACIFWWIP-UHFFFAOYSA-N
XLogP-1.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-acetylpiperazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-acetylpiperazine-2-carboxylate?
The IUPAC name of methyl 1-acetylpiperazine-2-carboxylate (CID 45115682) is methyl 1-acetylpiperazine-2-carboxylate.
What is the SMILES notation for methyl 1-acetylpiperazine-2-carboxylate?
The canonical SMILES for methyl 1-acetylpiperazine-2-carboxylate is COC(=O)C1CNCCN1C(C)=O.
What is the InChIKey of methyl 1-acetylpiperazine-2-carboxylate?
The InChIKey is QSVNWNACIFWWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)10-4-3-9-5-7(10)8(12)13-2/h7,9H,3-5H2,1-2H3.
What are the key properties of methyl 1-acetylpiperazine-2-carboxylate?
methyl 1-acetylpiperazine-2-carboxylate has a molecular weight of 186.21 g/mol, XLogP of -1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetylpiperazine-2-carboxylate is sourced from PubChem (CID 45115682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).