1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione

C14H26N2O4 — CID 79942577

IUPAC1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CCC(OCC)OCC)CC1=O
InChIInChI=1S/C14H26N2O4/c1-4-8-15-10-13(18)16(11-12(15)17)9-7-14(19-5-2)20-6-3/h14H,4-11H2,1-3H3
InChIKeyGXBJRTHDHMPJKC-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.86
Rot. Bonds9

About 1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione

1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione (PubChem CID 79942577) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione
PubChem CID79942577
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CCC(OCC)OCC)CC1=O
InChIInChI=1S/C14H26N2O4/c1-4-8-15-10-13(18)16(11-12(15)17)9-7-14(19-5-2)20-6-3/h14H,4-11H2,1-3H3
InChIKeyGXBJRTHDHMPJKC-UHFFFAOYSA-N
XLogP0.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione (CID 79942577) is 1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(CCC(OCC)OCC)CC1=O.
What is the InChIKey of 1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione?
The InChIKey is GXBJRTHDHMPJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-8-15-10-13(18)16(11-12(15)17)9-7-14(19-5-2)20-6-3/h14H,4-11H2,1-3H3.
What are the key properties of 1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione?
1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione has a molecular weight of 286.37 g/mol, XLogP of 0.86, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 79942577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).