2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone

C17H33N3O — CID 64979180

IUPAC2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCCC1CN(CC(=O)N2CC(C)CC(C)C2)C(CC)CN1
InChIInChI=1S/C17H33N3O/c1-5-15-11-19(16(6-2)8-18-15)12-17(21)20-9-13(3)7-14(4)10-20/h13-16,18H,5-12H2,1-4H3
InChIKeyRJQNUIUSYOHOGE-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.95
Rot. Bonds4

About 2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 64979180) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID64979180
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCCC1CN(CC(=O)N2CC(C)CC(C)C2)C(CC)CN1
InChIInChI=1S/C17H33N3O/c1-5-15-11-19(16(6-2)8-18-15)12-17(21)20-9-13(3)7-14(4)10-20/h13-16,18H,5-12H2,1-4H3
InChIKeyRJQNUIUSYOHOGE-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 64979180) is 2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone is CCC1CN(CC(=O)N2CC(C)CC(C)C2)C(CC)CN1.
What is the InChIKey of 2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is RJQNUIUSYOHOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-5-15-11-19(16(6-2)8-18-15)12-17(21)20-9-13(3)7-14(4)10-20/h13-16,18H,5-12H2,1-4H3.
What are the key properties of 2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 295.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethylpiperazin-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 64979180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).