1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione

C14H26N2O3 — CID 64872679

IUPAC1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)C)C(=O)N1CCCOC
InChIInChI=1S/C14H26N2O3/c1-5-7-11-13(17)15-12(10(2)3)14(18)16(11)8-6-9-19-4/h10-12H,5-9H2,1-4H3,(H,15,17)
InChIKeyMZVQNGOZTUESBK-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.17
Rot. Bonds7

About 1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione

1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione (PubChem CID 64872679) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
PubChem CID64872679
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)C)C(=O)N1CCCOC
InChIInChI=1S/C14H26N2O3/c1-5-7-11-13(17)15-12(10(2)3)14(18)16(11)8-6-9-19-4/h10-12H,5-9H2,1-4H3,(H,15,17)
InChIKeyMZVQNGOZTUESBK-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647
1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 106458916
1-(3-ethoxypropyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959207
1-(2-methoxyethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873401
3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 103184655
1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872775
1-[(E)-but-2-enyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 107898189
3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione
CID 64902709
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
1-(2-butoxyethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873847
5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one
CID 83247429
1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 106440615

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione (CID 64872679) is 1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C(C)C)C(=O)N1CCCOC.
What is the InChIKey of 1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione?
The InChIKey is MZVQNGOZTUESBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-7-11-13(17)15-12(10(2)3)14(18)16(11)8-6-9-19-4/h10-12H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione?
1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione has a molecular weight of 270.37 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64872679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).