1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione

C11H21N3O2 — CID 79937575

IUPAC1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(CCCC(C)N)CC1=O
InChIInChI=1S/C11H21N3O2/c1-3-13-7-11(16)14(8-10(13)15)6-4-5-9(2)12/h9H,3-8,12H2,1-2H3
InChIKeyZNQISZWLJVIRMI-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.20
Rot. Bonds5

About 1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione

1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione (PubChem CID 79937575) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione
PubChem CID79937575
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione
SMILESCCN1CC(=O)N(CCCC(C)N)CC1=O
InChIInChI=1S/C11H21N3O2/c1-3-13-7-11(16)14(8-10(13)15)6-4-5-9(2)12/h9H,3-8,12H2,1-2H3
InChIKeyZNQISZWLJVIRMI-UHFFFAOYSA-N
XLogP-0.20
TPSA66.64 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 ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione (CID 79937575) is 1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione is CCN1CC(=O)N(CCCC(C)N)CC1=O.
What is the InChIKey of 1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione?
The InChIKey is ZNQISZWLJVIRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-13-7-11(16)14(8-10(13)15)6-4-5-9(2)12/h9H,3-8,12H2,1-2H3.
What are the key properties of 1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione?
1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione has a molecular weight of 227.31 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione is sourced from PubChem (CID 79937575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).