2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone

C15H26N2O3 — CID 102852264

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C15H26N2O3/c1-16-6-8-17(9-7-16)14(18)12-13-2-4-15(5-3-13)19-10-11-20-15/h13H,2-12H2,1H3
InChIKeyWDTXDIXSVUDURB-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.08
Rot. Bonds2

About 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 102852264) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID102852264
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C15H26N2O3/c1-16-6-8-17(9-7-16)14(18)12-13-2-4-15(5-3-13)19-10-11-20-15/h13H,2-12H2,1H3
InChIKeyWDTXDIXSVUDURB-UHFFFAOYSA-N
XLogP1.08
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 102852264) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CC2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is WDTXDIXSVUDURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-16-6-8-17(9-7-16)14(18)12-13-2-4-15(5-3-13)19-10-11-20-15/h13H,2-12H2,1H3.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 282.38 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 102852264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).