1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone

C13H25N3O — CID 24703734

IUPAC1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone
SMILESCCN1CCN(C(=O)CC2CCNCC2)CC1
InChIInChI=1S/C13H25N3O/c1-2-15-7-9-16(10-8-15)13(17)11-12-3-5-14-6-4-12/h12,14H,2-11H2,1H3
InChIKeyXGBKGXYHVZDLHL-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.54
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone

1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone (PubChem CID 24703734) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone
PubChem CID24703734
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone
SMILESCCN1CCN(C(=O)CC2CCNCC2)CC1
InChIInChI=1S/C13H25N3O/c1-2-15-7-9-16(10-8-15)13(17)11-12-3-5-14-6-4-12/h12,14H,2-11H2,1H3
InChIKeyXGBKGXYHVZDLHL-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone (CID 24703734) is 1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone is CCN1CCN(C(=O)CC2CCNCC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone?
The InChIKey is XGBKGXYHVZDLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-15-7-9-16(10-8-15)13(17)11-12-3-5-14-6-4-12/h12,14H,2-11H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone?
1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone has a molecular weight of 239.36 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 24703734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).