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

C17H30N2O2 — CID 64886170

IUPAC6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C2CC2)N(CCC(C)(C)C)C1=O
InChIInChI=1S/C17H30N2O2/c1-6-17(7-2)15(21)19(11-10-16(3,4)5)13(12-8-9-12)14(20)18-17/h12-13H,6-11H2,1-5H3,(H,18,20)
InChIKeyZCKWYALRYUWRSJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds5

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

6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione (PubChem CID 64886170) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione
PubChem CID64886170
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C2CC2)N(CCC(C)(C)C)C1=O
InChIInChI=1S/C17H30N2O2/c1-6-17(7-2)15(21)19(11-10-16(3,4)5)13(12-8-9-12)14(20)18-17/h12-13H,6-11H2,1-5H3,(H,18,20)
InChIKeyZCKWYALRYUWRSJ-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione
CID 64903708
8-cyclopropyl-9-(3,3-dimethylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886085
6-cyclopropyl-3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 115943725
6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64887009
6-cyclopropyl-3,3-diethyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
CID 116500126
1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione
CID 64964115
1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64887569
3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64885748
1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 103465427
6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
CID 113474633
3,6-dicyclopropyl-1-(2-methoxyethyl)-3-methylpiperazine-2,5-dione
CID 64886143
3,3-diethyl-1,6-dipropylpiperazine-2,5-dione
CID 64886735

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione (CID 64886170) is 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione is CCC1(CC)NC(=O)C(C2CC2)N(CCC(C)(C)C)C1=O.
What is the InChIKey of 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione?
The InChIKey is ZCKWYALRYUWRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-17(7-2)15(21)19(11-10-16(3,4)5)13(12-8-9-12)14(20)18-17/h12-13H,6-11H2,1-5H3,(H,18,20).
What are the key properties of 6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione?
6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 5 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-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64886170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).