3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione

C16H30N2O3 — CID 64967457

IUPAC3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C(C)C)N(CCCCOC)C1=O
InChIInChI=1S/C16H30N2O3/c1-6-16(7-2)15(20)18(10-8-9-11-21-5)13(12(3)4)14(19)17-16/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyREMIRSNOHNSUFK-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.95
Rot. Bonds8

About 3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione

3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64967457) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64967457
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C(C)C)N(CCCCOC)C1=O
InChIInChI=1S/C16H30N2O3/c1-6-16(7-2)15(20)18(10-8-9-11-21-5)13(12(3)4)14(19)17-16/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyREMIRSNOHNSUFK-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

3,3-diethyl-1-pent-3-ynyl-6-propan-2-ylpiperazine-2,5-dione
CID 116645652
6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione
CID 64886435
3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64884815
1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 103465427
3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 115327146
1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64955313
1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872775
3,3-diethyl-6-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979721
1-(1-ethoxypropan-2-yl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64967399
3-ethyl-3-methyl-1-(3-methylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901390
1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione
CID 65178420
3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64968418

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64967457) is 3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione is CCC1(CC)NC(=O)C(C(C)C)N(CCCCOC)C1=O.
What is the InChIKey of 3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is REMIRSNOHNSUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-6-16(7-2)15(20)18(10-8-9-11-21-5)13(12(3)4)14(19)17-16/h12-13H,6-11H2,1-5H3,(H,17,19).
What are the key properties of 3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione?
3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64967457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).