propyl 3-methyl-5-oxopiperazine-2-carboxylate

C9H16N2O3 — CID 71606785

IUPACpropyl 3-methyl-5-oxopiperazine-2-carboxylate
SMILESCCCOC(=O)C1NCC(=O)NC1C
InChIInChI=1S/C9H16N2O3/c1-3-4-14-9(13)8-6(2)11-7(12)5-10-8/h6,8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyXIJRMEAMHKZSKG-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.58
Rot. Bonds3

About propyl 3-methyl-5-oxopiperazine-2-carboxylate

propyl 3-methyl-5-oxopiperazine-2-carboxylate (PubChem CID 71606785) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is propyl 3-methyl-5-oxopiperazine-2-carboxylate.

Molecular Properties

Compound Namepropyl 3-methyl-5-oxopiperazine-2-carboxylate
PubChem CID71606785
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namepropyl 3-methyl-5-oxopiperazine-2-carboxylate
SMILESCCCOC(=O)C1NCC(=O)NC1C
InChIInChI=1S/C9H16N2O3/c1-3-4-14-9(13)8-6(2)11-7(12)5-10-8/h6,8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyXIJRMEAMHKZSKG-UHFFFAOYSA-N
XLogP-0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(3-oxopiperazin-2-yl)acetate
CID 544550
1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate
CID 11402671
Ethyl 1-(propan-2-yl)piperazine-2-carboxylate
CID 10559962
(S)-methyl 6-oxopiperazine-2-carboxylate
CID 45082265
Methyl 3-oxopiperazine-2-carboxylate
CID 45099483
Methyl 2-(piperazin-1-yl)butanoate
CID 61002490
Methyl 5-oxopiperazine-2-carboxylate
CID 75040877
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 3229463
N-butan-2-yl-2-morpholin-4-ylacetamide
CID 17634927
Methyl 1-acetylpiperazine-2-carboxylate
CID 45115682
Ethyl 3,6-dioxopiperazine-2-carboxylate
CID 251644
(2S,3R)-diethyl piperazine-2,3-dicarboxylate
CID 29924428

Frequently Asked Questions

What is the IUPAC name of propyl 3-methyl-5-oxopiperazine-2-carboxylate?
The IUPAC name of propyl 3-methyl-5-oxopiperazine-2-carboxylate (CID 71606785) is propyl 3-methyl-5-oxopiperazine-2-carboxylate.
What is the SMILES notation for propyl 3-methyl-5-oxopiperazine-2-carboxylate?
The canonical SMILES for propyl 3-methyl-5-oxopiperazine-2-carboxylate is CCCOC(=O)C1NCC(=O)NC1C.
What is the InChIKey of propyl 3-methyl-5-oxopiperazine-2-carboxylate?
The InChIKey is XIJRMEAMHKZSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-4-14-9(13)8-6(2)11-7(12)5-10-8/h6,8,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of propyl 3-methyl-5-oxopiperazine-2-carboxylate?
propyl 3-methyl-5-oxopiperazine-2-carboxylate has a molecular weight of 200.24 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-methyl-5-oxopiperazine-2-carboxylate is sourced from PubChem (CID 71606785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).