1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione

C11H21N3O2 — CID 79937388

IUPAC1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CCNC(C)(C)C)CC1=O
InChIInChI=1S/C11H21N3O2/c1-11(2,3)12-5-6-14-8-9(15)13(4)7-10(14)16/h12H,5-8H2,1-4H3
InChIKeyCKPYAFRVPLTFQH-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.32
Rot. Bonds3

About 1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione

1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione (PubChem CID 79937388) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione
PubChem CID79937388
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CCNC(C)(C)C)CC1=O
InChIInChI=1S/C11H21N3O2/c1-11(2,3)12-5-6-14-8-9(15)13(4)7-10(14)16/h12H,5-8H2,1-4H3
InChIKeyCKPYAFRVPLTFQH-UHFFFAOYSA-N
XLogP-0.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione (CID 79937388) is 1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(CCNC(C)(C)C)CC1=O.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione?
The InChIKey is CKPYAFRVPLTFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,3)12-5-6-14-8-9(15)13(4)7-10(14)16/h12H,5-8H2,1-4H3.
What are the key properties of 1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione?
1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione has a molecular weight of 227.31 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 79937388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).