3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione

C16H28N2O3 — CID 103016949

IUPAC3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C2CC2)C(=O)N1CCC(C)(C)OC
InChIInChI=1S/C16H28N2O3/c1-5-6-12-14(19)17-13(11-7-8-11)15(20)18(12)10-9-16(2,3)21-4/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyQTZJAEHEVJYBIQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds7

About 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione

3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione (PubChem CID 103016949) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione
PubChem CID103016949
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C2CC2)C(=O)N1CCC(C)(C)OC
InChIInChI=1S/C16H28N2O3/c1-5-6-12-14(19)17-13(11-7-8-11)15(20)18(12)10-9-16(2,3)21-4/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyQTZJAEHEVJYBIQ-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1,6-dipropylpiperazine-2,5-dione
CID 64886190
3-cyclohexyl-1-(2-methoxyethyl)-6-propylpiperazine-2,5-dione
CID 64885264
3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione
CID 83168014
3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82934654
1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
CID 114013993
3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione
CID 64901503
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
CID 64885436
1-but-3-ynyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64972450
1-but-3-enyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 113466174
3-cyclopropyl-6-ethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64884857
1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
CID 103016836

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione (CID 103016949) is 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C2CC2)C(=O)N1CCC(C)(C)OC.
What is the InChIKey of 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione?
The InChIKey is QTZJAEHEVJYBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-6-12-14(19)17-13(11-7-8-11)15(20)18(12)10-9-16(2,3)21-4/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione?
3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-methoxy-3-methylbutyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 103016949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).