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

C17H30N2O2 — CID 64872609

IUPAC6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C2CC2)N(CCC(C)(C)C)C1=O
InChIInChI=1S/C17H30N2O2/c1-6-7-13-14(20)19(11-10-16(2,3)4)17(5,12-8-9-12)15(21)18-13/h12-13H,6-11H2,1-5H3,(H,18,21)
InChIKeyYUKSWKSOHNJOOB-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds5

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

6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 64872609) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID64872609
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C2CC2)N(CCC(C)(C)C)C1=O
InChIInChI=1S/C17H30N2O2/c1-6-7-13-14(20)19(11-10-16(2,3)4)17(5,12-8-9-12)15(21)18-13/h12-13H,6-11H2,1-5H3,(H,18,21)
InChIKeyYUKSWKSOHNJOOB-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

Analyze 6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519286
1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
CID 103016836
6-cyclopropyl-3-ethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64903218
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
1,3-dipropyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872406
6,6-dimethyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627631
1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901357
6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 81113360
1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64874522
6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64873772
6-cyclopropyl-3,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64874919
6-cyclopropyl-3-ethyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64900730

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione (CID 64872609) is 6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)(C2CC2)N(CCC(C)(C)C)C1=O.
What is the InChIKey of 6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is YUKSWKSOHNJOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-7-13-14(20)19(11-10-16(2,3)4)17(5,12-8-9-12)15(21)18-13/h12-13H,6-11H2,1-5H3,(H,18,21).
What are the key properties of 6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione?
6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-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)-6-methyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64872609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).