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

C15H26N2O2 — CID 64903708

IUPAC6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC(C)(C)CCN1C(=O)C(C)(C)NC(=O)C1C1CC1
InChIInChI=1S/C15H26N2O2/c1-14(2,3)8-9-17-11(10-6-7-10)12(18)16-15(4,5)13(17)19/h10-11H,6-9H2,1-5H3,(H,16,18)
InChIKeyNESXVJLFLWRZEJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.94
Rot. Bonds3

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

6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64903708) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID64903708
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC(C)(C)CCN1C(=O)C(C)(C)NC(=O)C1C1CC1
InChIInChI=1S/C15H26N2O2/c1-14(2,3)8-9-17-11(10-6-7-10)12(18)16-15(4,5)13(17)19/h10-11H,6-9H2,1-5H3,(H,16,18)
InChIKeyNESXVJLFLWRZEJ-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclopropyl-3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 115943725
6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione
CID 64886170
8-cyclopropyl-9-(3,3-dimethylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886085
6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
CID 113474633
6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 104650380
6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione
CID 103184650
6-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine-2,5-dione
CID 103414640
6-cyclopropyl-3,3-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141791
3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64885748
3,6-dicyclopropyl-1-(2-methoxyethyl)-3-methylpiperazine-2,5-dione
CID 64886143
6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64887009
3,6-dicyclopropyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83149405

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione (CID 64903708) is 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione is CC(C)(C)CCN1C(=O)C(C)(C)NC(=O)C1C1CC1.
What is the InChIKey of 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is NESXVJLFLWRZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-14(2,3)8-9-17-11(10-6-7-10)12(18)16-15(4,5)13(17)19/h10-11H,6-9H2,1-5H3,(H,16,18).
What are the key properties of 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione?
6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64903708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).