4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione

C13H18N4O2 — CID 66068683

IUPAC4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(CN)c1ccccn1
InChIInChI=1S/C13H18N4O2/c1-2-10-13(19)16-12(18)8-17(10)11(7-14)9-5-3-4-6-15-9/h3-6,10-11H,2,7-8,14H2,1H3,(H,16,18,19)
InChIKeyZJPJUMXDUNCXCX-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.18
Rot. Bonds4

About 4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione

4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione (PubChem CID 66068683) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione
PubChem CID66068683
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(CN)c1ccccn1
InChIInChI=1S/C13H18N4O2/c1-2-10-13(19)16-12(18)8-17(10)11(7-14)9-5-3-4-6-15-9/h3-6,10-11H,2,7-8,14H2,1H3,(H,16,18,19)
InChIKeyZJPJUMXDUNCXCX-UHFFFAOYSA-N
XLogP-0.18
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione (CID 66068683) is 4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(CN)c1ccccn1.
What is the InChIKey of 4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is ZJPJUMXDUNCXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-10-13(19)16-12(18)8-17(10)11(7-14)9-5-3-4-6-15-9/h3-6,10-11H,2,7-8,14H2,1H3,(H,16,18,19).
What are the key properties of 4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione?
4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 262.31 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66068683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).