4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione

C12H19N3O3 — CID 79854148

IUPAC4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)CC1(N)CCC1
InChIInChI=1S/C12H19N3O3/c1-2-8-11(18)14-9(16)7-15(8)10(17)6-12(13)4-3-5-12/h8H,2-7,13H2,1H3,(H,14,16,18)
InChIKeyGYTGXSOBMXYZGQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.48
Rot. Bonds3

About 4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione

4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione (PubChem CID 79854148) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione
PubChem CID79854148
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)CC1(N)CCC1
InChIInChI=1S/C12H19N3O3/c1-2-8-11(18)14-9(16)7-15(8)10(17)6-12(13)4-3-5-12/h8H,2-7,13H2,1H3,(H,14,16,18)
InChIKeyGYTGXSOBMXYZGQ-UHFFFAOYSA-N
XLogP-0.48
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione (CID 79854148) is 4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)CC1(N)CCC1.
What is the InChIKey of 4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione?
The InChIKey is GYTGXSOBMXYZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-8-11(18)14-9(16)7-15(8)10(17)6-12(13)4-3-5-12/h8H,2-7,13H2,1H3,(H,14,16,18).
What are the key properties of 4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione?
4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione has a molecular weight of 253.30 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 79854148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).