6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione

C16H30N2O3 — CID 65178143

IUPAC6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCCOCCCN1C(=O)C(C(C)C)NC(=O)C1C(C)CC
InChIInChI=1S/C16H30N2O3/c1-6-12(5)14-15(19)17-13(11(3)4)16(20)18(14)9-8-10-21-7-2/h11-14H,6-10H2,1-5H3,(H,17,19)
InChIKeyJRJFPIXUEYIVDC-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.81
Rot. Bonds8

About 6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione

6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 65178143) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID65178143
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCCOCCCN1C(=O)C(C(C)C)NC(=O)C1C(C)CC
InChIInChI=1S/C16H30N2O3/c1-6-12(5)14-15(19)17-13(11(3)4)16(20)18(14)9-8-10-21-7-2/h11-14H,6-10H2,1-5H3,(H,17,19)
InChIKeyJRJFPIXUEYIVDC-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64873399
1-(3-ethoxypropyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959207
3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione
CID 64958605
6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64872817
1-(3-ethoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64958653
6-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-3-propan-2-ylpiperazine-2,5-dione
CID 107902058
6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione
CID 64902272
6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647
1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 64872679
1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64872808
1-(2-butoxyethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873847
1-(2-ethoxyethyl)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64903642

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione (CID 65178143) is 6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione is CCOCCCN1C(=O)C(C(C)C)NC(=O)C1C(C)CC.
What is the InChIKey of 6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is JRJFPIXUEYIVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-6-12(5)14-15(19)17-13(11(3)4)16(20)18(14)9-8-10-21-7-2/h11-14H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione?
6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 65178143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).