1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone

C13H25N3O — CID 82023476

IUPAC1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CCN1CCNCC1
InChIInChI=1S/C13H25N3O/c1-12(17)16-8-3-2-4-13(16)5-9-15-10-6-14-7-11-15/h13-14H,2-11H2,1H3
InChIKeyXAPSBZITRXPWAO-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds3

About 1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone

1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone (PubChem CID 82023476) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone
PubChem CID82023476
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CCN1CCNCC1
InChIInChI=1S/C13H25N3O/c1-12(17)16-8-3-2-4-13(16)5-9-15-10-6-14-7-11-15/h13-14H,2-11H2,1H3
InChIKeyXAPSBZITRXPWAO-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111821
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82511230
3-methoxy-1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111813
2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde
CID 82508373
1-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazine
CID 51614709
1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone
CID 93476405
1-(2-prop-2-enylpiperidin-1-yl)ethanone
CID 11116438
1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone
CID 178104627
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone (CID 82023476) is 1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone is CC(=O)N1CCCCC1CCN1CCNCC1.
What is the InChIKey of 1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is XAPSBZITRXPWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-12(17)16-8-3-2-4-13(16)5-9-15-10-6-14-7-11-15/h13-14H,2-11H2,1H3.
What are the key properties of 1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone?
1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 239.36 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-piperazin-1-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 82023476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).