1-(1-piperidin-4-ylpiperidin-4-yl)ethanone

C12H22N2O — CID 154680876

IUPAC1-(1-piperidin-4-ylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C12H22N2O/c1-10(15)11-4-8-14(9-5-11)12-2-6-13-7-3-12/h11-13H,2-9H2,1H3
InChIKeyUUGAXMKVBWUINM-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.04
Rot. Bonds2

About 1-(1-piperidin-4-ylpiperidin-4-yl)ethanone

1-(1-piperidin-4-ylpiperidin-4-yl)ethanone (PubChem CID 154680876) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(1-piperidin-4-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-piperidin-4-ylpiperidin-4-yl)ethanone
PubChem CID154680876
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(1-piperidin-4-ylpiperidin-4-yl)ethanone
SMILESCC(=O)C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C12H22N2O/c1-10(15)11-4-8-14(9-5-11)12-2-6-13-7-3-12/h11-13H,2-9H2,1H3
InChIKeyUUGAXMKVBWUINM-UHFFFAOYSA-N
XLogP1.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-4-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(1-piperidin-4-ylpiperidin-4-yl)ethanone (CID 154680876) is 1-(1-piperidin-4-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(1-piperidin-4-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(1-piperidin-4-ylpiperidin-4-yl)ethanone is CC(=O)C1CCN(C2CCNCC2)CC1.
What is the InChIKey of 1-(1-piperidin-4-ylpiperidin-4-yl)ethanone?
The InChIKey is UUGAXMKVBWUINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(15)11-4-8-14(9-5-11)12-2-6-13-7-3-12/h11-13H,2-9H2,1H3.
What are the key properties of 1-(1-piperidin-4-ylpiperidin-4-yl)ethanone?
1-(1-piperidin-4-ylpiperidin-4-yl)ethanone has a molecular weight of 210.32 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-4-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 154680876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).