1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione

C10H17N3O2 — CID 62927219

IUPAC1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(CCNC2CC2)C(=O)C1=O
InChIInChI=1S/C10H17N3O2/c1-12-6-7-13(10(15)9(12)14)5-4-11-8-2-3-8/h8,11H,2-7H2,1H3
InChIKeyKDPPCOFLFJDFOY-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.96
Rot. Bonds4

About 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione

1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione (PubChem CID 62927219) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione
PubChem CID62927219
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(CCNC2CC2)C(=O)C1=O
InChIInChI=1S/C10H17N3O2/c1-12-6-7-13(10(15)9(12)14)5-4-11-8-2-3-8/h8,11H,2-7H2,1H3
InChIKeyKDPPCOFLFJDFOY-UHFFFAOYSA-N
XLogP-0.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.96
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-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione (CID 62927219) is 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione is CN1CCN(CCNC2CC2)C(=O)C1=O.
What is the InChIKey of 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione?
The InChIKey is KDPPCOFLFJDFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-12-6-7-13(10(15)9(12)14)5-4-11-8-2-3-8/h8,11H,2-7H2,1H3.
What are the key properties of 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione?
1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione has a molecular weight of 211.26 g/mol, XLogP of -0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 62927219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).