1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone

C13H25N3O — CID 18715050

IUPAC1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
SMILESCN1CCC(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-14-5-3-12(4-6-14)11-13(17)16-9-7-15(2)8-10-16/h12H,3-11H2,1-2H3
InChIKeyCJJGXBSKAVXLRN-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.49
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone

1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone (PubChem CID 18715050) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
PubChem CID18715050
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
SMILESCN1CCC(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-14-5-3-12(4-6-14)11-13(17)16-9-7-15(2)8-10-16/h12H,3-11H2,1-2H3
InChIKeyCJJGXBSKAVXLRN-UHFFFAOYSA-N
XLogP0.49
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone (CID 18715050) is 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone is CN1CCC(CC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
The InChIKey is CJJGXBSKAVXLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14-5-3-12(4-6-14)11-13(17)16-9-7-15(2)8-10-16/h12H,3-11H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone?
1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 18715050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).