6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione

C14H24N2O3 — CID 104650380

IUPAC6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCOCCCCN1C(=O)C(C)(C)NC(=O)C1C1CC1
InChIInChI=1S/C14H24N2O3/c1-14(2)13(18)16(8-4-5-9-19-3)11(10-6-7-10)12(17)15-14/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyIZKCKCHAEKYHOU-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds6

About 6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione

6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 104650380) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID104650380
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCOCCCCN1C(=O)C(C)(C)NC(=O)C1C1CC1
InChIInChI=1S/C14H24N2O3/c1-14(2)13(18)16(8-4-5-9-19-3)11(10-6-7-10)12(17)15-14/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyIZKCKCHAEKYHOU-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
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-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine-2,5-dione
CID 103414640
6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione
CID 103184650
6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
CID 113474633
6-cyclopropyl-3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 115943725
6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 104650381
3,6-dicyclopropyl-1-(2-methoxyethyl)-3-methylpiperazine-2,5-dione
CID 64886143
6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione
CID 64903708
6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione
CID 64875375
2-cyclopentyl-5-ethyl-3-(4-methoxybutyl)-5-methylimidazolidin-4-one
CID 83244840
6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 104650386
6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione
CID 104650445
1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 64967331

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione (CID 104650380) is 6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione is COCCCCN1C(=O)C(C)(C)NC(=O)C1C1CC1.
What is the InChIKey of 6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is IZKCKCHAEKYHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2)13(18)16(8-4-5-9-19-3)11(10-6-7-10)12(17)15-14/h10-11H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione?
6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 104650380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).