1-[4-(diethylamino)phenyl]piperazine-2,6-dione

C14H19N3O2 — CID 82121695

IUPAC1-[4-(diethylamino)phenyl]piperazine-2,6-dione
SMILESCCN(CC)c1ccc(N2C(=O)CNCC2=O)cc1
InChIInChI=1S/C14H19N3O2/c1-3-16(4-2)11-5-7-12(8-6-11)17-13(18)9-15-10-14(17)19/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyUWFQDXDAAIWROR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.00
Rot. Bonds4

About 1-[4-(diethylamino)phenyl]piperazine-2,6-dione

1-[4-(diethylamino)phenyl]piperazine-2,6-dione (PubChem CID 82121695) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]piperazine-2,6-dione.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]piperazine-2,6-dione
PubChem CID82121695
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[4-(diethylamino)phenyl]piperazine-2,6-dione
SMILESCCN(CC)c1ccc(N2C(=O)CNCC2=O)cc1
InChIInChI=1S/C14H19N3O2/c1-3-16(4-2)11-5-7-12(8-6-11)17-13(18)9-15-10-14(17)19/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyUWFQDXDAAIWROR-UHFFFAOYSA-N
XLogP1.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]piperazine-2,6-dione?
The IUPAC name of 1-[4-(diethylamino)phenyl]piperazine-2,6-dione (CID 82121695) is 1-[4-(diethylamino)phenyl]piperazine-2,6-dione.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]piperazine-2,6-dione?
The canonical SMILES for 1-[4-(diethylamino)phenyl]piperazine-2,6-dione is CCN(CC)c1ccc(N2C(=O)CNCC2=O)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]piperazine-2,6-dione?
The InChIKey is UWFQDXDAAIWROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-16(4-2)11-5-7-12(8-6-11)17-13(18)9-15-10-14(17)19/h5-8,15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[4-(diethylamino)phenyl]piperazine-2,6-dione?
1-[4-(diethylamino)phenyl]piperazine-2,6-dione has a molecular weight of 261.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]piperazine-2,6-dione is sourced from PubChem (CID 82121695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).