1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone

C16H27NO3 — CID 79905880

IUPAC1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C16H27NO3/c1-13(18)14-2-7-17(8-3-14)15-4-9-20-16(12-15)5-10-19-11-6-16/h14-15H,2-12H2,1H3
InChIKeyAVHBAFFCZMNNCQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.02
Rot. Bonds2

About 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone

1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone (PubChem CID 79905880) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
PubChem CID79905880
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C16H27NO3/c1-13(18)14-2-7-17(8-3-14)15-4-9-20-16(12-15)5-10-19-11-6-16/h14-15H,2-12H2,1H3
InChIKeyAVHBAFFCZMNNCQ-UHFFFAOYSA-N
XLogP2.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79906102
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
CID 79910833
(3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol
CID 79920363
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol
CID 79920646
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 79894133
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate
CID 115536896
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 79901731
2-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propanenitrile
CID 79900815
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79919392

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone (CID 79905880) is 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone is CC(=O)C1CCN(C2CCOC3(CCOCC3)C2)CC1.
What is the InChIKey of 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone?
The InChIKey is AVHBAFFCZMNNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13(18)14-2-7-17(8-3-14)15-4-9-20-16(12-15)5-10-19-11-6-16/h14-15H,2-12H2,1H3.
What are the key properties of 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone?
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone has a molecular weight of 281.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 79905880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).