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

C12H21N3O2 — CID 79572420

IUPAC1-[2-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(CCC2CCCC2N)C(=O)C1=O
InChIInChI=1S/C12H21N3O2/c1-14-7-8-15(12(17)11(14)16)6-5-9-3-2-4-10(9)13/h9-10H,2-8,13H2,1H3
InChIKeyFNPUJHNLSFERSK-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.20
Rot. Bonds3

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

1-[2-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione (PubChem CID 79572420) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[2-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione
PubChem CID79572420
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[2-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(CCC2CCCC2N)C(=O)C1=O
InChIInChI=1S/C12H21N3O2/c1-14-7-8-15(12(17)11(14)16)6-5-9-3-2-4-10(9)13/h9-10H,2-8,13H2,1H3
InChIKeyFNPUJHNLSFERSK-UHFFFAOYSA-N
XLogP-0.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.20
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-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-[2-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione (CID 79572420) is 1-[2-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-[2-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-[2-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione is CN1CCN(CCC2CCCC2N)C(=O)C1=O.
What is the InChIKey of 1-[2-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione?
The InChIKey is FNPUJHNLSFERSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14-7-8-15(12(17)11(14)16)6-5-9-3-2-4-10(9)13/h9-10H,2-8,13H2,1H3.
What are the key properties of 1-[2-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione?
1-[2-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione has a molecular weight of 239.32 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminocyclopentyl)ethyl]-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 79572420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).