1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one

C13H25N3O — CID 116918923

IUPAC1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one
SMILESCN1CCCC(C(=O)CCN2CCNCC2)C1
InChIInChI=1S/C13H25N3O/c1-15-7-2-3-12(11-15)13(17)4-8-16-9-5-14-6-10-16/h12,14H,2-11H2,1H3
InChIKeyNZLSHDOFFGSWMM-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.19
Rot. Bonds4

About 1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one

1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 116918923) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID116918923
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one
SMILESCN1CCCC(C(=O)CCN2CCNCC2)C1
InChIInChI=1S/C13H25N3O/c1-15-7-2-3-12(11-15)13(17)4-8-16-9-5-14-6-10-16/h12,14H,2-11H2,1H3
InChIKeyNZLSHDOFFGSWMM-UHFFFAOYSA-N
XLogP0.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one (CID 116918923) is 1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one is CN1CCCC(C(=O)CCN2CCNCC2)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is NZLSHDOFFGSWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15-7-2-3-12(11-15)13(17)4-8-16-9-5-14-6-10-16/h12,14H,2-11H2,1H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one?
1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 116918923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).