6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione

C16H30N2O3 — CID 64902272

IUPAC6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C(C)(C)C)C(=O)N1CCCOC
InChIInChI=1S/C16H30N2O3/c1-7-11(2)12-14(19)17-13(16(3,4)5)15(20)18(12)9-8-10-21-6/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyCYJSGFHSWPRCOY-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.81
Rot. Bonds6

About 6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione

6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione (PubChem CID 64902272) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione
PubChem CID64902272
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C(C)(C)C)C(=O)N1CCCOC
InChIInChI=1S/C16H30N2O3/c1-7-11(2)12-14(19)17-13(16(3,4)5)15(20)18(12)9-8-10-21-6/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyCYJSGFHSWPRCOY-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-1-(3-ethoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 65178143
3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64902074
6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione
CID 64886435
1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872775
6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 64872717
6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione
CID 103184675
6-ethyl-1-(3-methoxypropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874647
6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64902495
6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64873399
3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione
CID 64902838
3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione
CID 64901503
1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 64872679

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione (CID 64902272) is 6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione is CCC(C)C1C(=O)NC(C(C)(C)C)C(=O)N1CCCOC.
What is the InChIKey of 6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione?
The InChIKey is CYJSGFHSWPRCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-7-11(2)12-14(19)17-13(16(3,4)5)15(20)18(12)9-8-10-21-6/h11-13H,7-10H2,1-6H3,(H,17,19).
What are the key properties of 6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione?
6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione is sourced from PubChem (CID 64902272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).