1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione

C11H21N3O2 — CID 62928752

IUPAC1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione
SMILESCCNC(C)CCN1CCN(C)C(=O)C1=O
InChIInChI=1S/C11H21N3O2/c1-4-12-9(2)5-6-14-8-7-13(3)10(15)11(14)16/h9,12H,4-8H2,1-3H3
InChIKeyADUSFSIFAVEDNX-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.32
Rot. Bonds5

About 1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione

1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione (PubChem CID 62928752) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione
PubChem CID62928752
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione
SMILESCCNC(C)CCN1CCN(C)C(=O)C1=O
InChIInChI=1S/C11H21N3O2/c1-4-12-9(2)5-6-14-8-7-13(3)10(15)11(14)16/h9,12H,4-8H2,1-3H3
InChIKeyADUSFSIFAVEDNX-UHFFFAOYSA-N
XLogP-0.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione (CID 62928752) is 1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione is CCNC(C)CCN1CCN(C)C(=O)C1=O.
What is the InChIKey of 1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione?
The InChIKey is ADUSFSIFAVEDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-12-9(2)5-6-14-8-7-13(3)10(15)11(14)16/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione?
1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione has a molecular weight of 227.31 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)butyl]-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 62928752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).