tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate

C10H18N2O3 — CID 18783916

IUPACtert-butyl 4-methyl-3-oxopiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-5-11(4)8(13)7-12/h5-7H2,1-4H3
InChIKeySLWXQUHGEUNYSN-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.70
Rot. Bonds

About tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate

tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate (PubChem CID 18783916) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-3-oxopiperazine-1-carboxylate
PubChem CID18783916
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nametert-butyl 4-methyl-3-oxopiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-5-11(4)8(13)7-12/h5-7H2,1-4H3
InChIKeySLWXQUHGEUNYSN-UHFFFAOYSA-N
XLogP0.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate (CID 18783916) is tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate is CN1CCN(C(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate?
The InChIKey is SLWXQUHGEUNYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-5-11(4)8(13)7-12/h5-7H2,1-4H3.
What are the key properties of tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate?
tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 18783916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).