1,3-bis(3-methoxypropyl)piperazine-2,5-dione

C12H22N2O4 — CID 174909939

IUPAC1,3-bis(3-methoxypropyl)piperazine-2,5-dione
SMILESCOCCCC1NC(=O)CN(CCCOC)C1=O
InChIInChI=1S/C12H22N2O4/c1-17-7-3-5-10-12(16)14(6-4-8-18-2)9-11(15)13-10/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyKSUJLYXHPFEBED-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.22
Rot. Bonds8

About 1,3-bis(3-methoxypropyl)piperazine-2,5-dione

1,3-bis(3-methoxypropyl)piperazine-2,5-dione (PubChem CID 174909939) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1,3-bis(3-methoxypropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1,3-bis(3-methoxypropyl)piperazine-2,5-dione
PubChem CID174909939
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1,3-bis(3-methoxypropyl)piperazine-2,5-dione
SMILESCOCCCC1NC(=O)CN(CCCOC)C1=O
InChIInChI=1S/C12H22N2O4/c1-17-7-3-5-10-12(16)14(6-4-8-18-2)9-11(15)13-10/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyKSUJLYXHPFEBED-UHFFFAOYSA-N
XLogP-0.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-bis(3-methoxypropyl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 67173862
CID 67173862
CID 11012468
CID 11012468
CID 101804026
CID 101804026
CID 81071337
CID 81071337
CID 81082899
CID 81082899
CID 81088625
CID 81088625
CID 11356097
CID 11356097
CID 22017376
CID 22017376
CID 58300989
CID 58300989
CID 59948099
CID 59948099
CID 59948121
CID 59948121
CID 67504606
CID 67504606

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methoxypropyl)piperazine-2,5-dione?
The IUPAC name of 1,3-bis(3-methoxypropyl)piperazine-2,5-dione (CID 174909939) is 1,3-bis(3-methoxypropyl)piperazine-2,5-dione.
What is the SMILES notation for 1,3-bis(3-methoxypropyl)piperazine-2,5-dione?
The canonical SMILES for 1,3-bis(3-methoxypropyl)piperazine-2,5-dione is COCCCC1NC(=O)CN(CCCOC)C1=O.
What is the InChIKey of 1,3-bis(3-methoxypropyl)piperazine-2,5-dione?
The InChIKey is KSUJLYXHPFEBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-17-7-3-5-10-12(16)14(6-4-8-18-2)9-11(15)13-10/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 1,3-bis(3-methoxypropyl)piperazine-2,5-dione?
1,3-bis(3-methoxypropyl)piperazine-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of -0.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methoxypropyl)piperazine-2,5-dione is sourced from PubChem (CID 174909939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).