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

C14H26N2O3 — CID 64872775

IUPAC1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(CCCOC)C1=O
InChIInChI=1S/C14H26N2O3/c1-5-7-11-14(18)16(8-6-9-19-4)12(10(2)3)13(17)15-11/h10-12H,5-9H2,1-4H3,(H,15,17)
InChIKeyWYDCFQSJEOKDLC-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.17
Rot. Bonds7

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

1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione (PubChem CID 64872775) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
PubChem CID64872775
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(CCCOC)C1=O
InChIInChI=1S/C14H26N2O3/c1-5-7-11-14(18)16(8-6-9-19-4)12(10(2)3)13(17)15-11/h10-12H,5-9H2,1-4H3,(H,15,17)
InChIKeyWYDCFQSJEOKDLC-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'}

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

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Related Compounds

1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64958653
1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409860
3-(3-methoxypropyl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83243478
1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 64872679
6-cyclopropyl-1-(2-methoxyethyl)-3-propylpiperazine-2,5-dione
CID 64873961
1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64972873
6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64873759
5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one
CID 83243884
3-ethyl-6-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901074
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409730
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
1-(3-methoxypropyl)-3-propylpiperazine-2,5-dione
CID 64879793

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione (CID 64872775) is 1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C(C)C)N(CCCOC)C1=O.
What is the InChIKey of 1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
The InChIKey is WYDCFQSJEOKDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-7-11-14(18)16(8-6-9-19-4)12(10(2)3)13(17)15-11/h10-12H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione?
1-(3-methoxypropyl)-6-propan-2-yl-3-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)-6-propan-2-yl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64872775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).