1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione

C16H30N2O3 — CID 65177926

IUPAC1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC(C)C)C(=O)N1CCCOCC
InChIInChI=1S/C16H30N2O3/c1-5-8-14-15(19)17-13(11-12(3)4)16(20)18(14)9-7-10-21-6-2/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyBWWDCUNFEPQEHT-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.95
Rot. Bonds9

About 1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione

1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione (PubChem CID 65177926) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
PubChem CID65177926
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC(C)C)C(=O)N1CCCOCC
InChIInChI=1S/C16H30N2O3/c1-5-8-14-15(19)17-13(11-12(3)4)16(20)18(14)9-7-10-21-6-2/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyBWWDCUNFEPQEHT-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.95
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

1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959
1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959221
1-(cyclopropylmethyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900957
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
1-(2-ethoxyethyl)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64903642
1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64958653
6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901725
1-(2-methylbutyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64901911
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 64903178
1-(3-methylbut-2-enyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 107902164
3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione
CID 106458998

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione (CID 65177926) is 1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(CC(C)C)C(=O)N1CCCOCC.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
The InChIKey is BWWDCUNFEPQEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-8-14-15(19)17-13(11-12(3)4)16(20)18(14)9-7-10-21-6-2/h12-14H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione?
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 65177926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).