1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone

C16H27NO2 — CID 102898101

IUPAC1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H27NO2/c1-13(18)15-6-2-5-11-17(15)12-14-7-10-16(19-14)8-3-4-9-16/h14-15H,2-12H2,1H3
InChIKeyNPYSQAMZLIEOBB-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.92
Rot. Bonds3

About 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone

1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone (PubChem CID 102898101) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone
PubChem CID102898101
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H27NO2/c1-13(18)15-6-2-5-11-17(15)12-14-7-10-16(19-14)8-3-4-9-16/h14-15H,2-12H2,1H3
InChIKeyNPYSQAMZLIEOBB-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone with MolForge

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Related Compounds

(2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one
CID 58333054
1-(1-Morpholin-4-ylcyclopentyl)-3-(oxolan-2-yl)propan-1-one
CID 79057253
1-(1-Morpholin-4-ylcyclopentyl)-4-(oxolan-2-yl)butan-1-one
CID 79059014
4-Methyl-4-morpholin-4-yl-1-(oxolan-2-yl)hexan-3-one
CID 79065163
5-Methyl-5-morpholin-4-yl-1-(oxolan-2-yl)heptan-4-one
CID 79065688
2-[1-(Oxolan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one
CID 79545312
Ethyl 1-(6-oxaspiro[4.5]decan-9-yl)pyrrolidine-2-carboxylate
CID 79920331
Methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate
CID 102848049
methyl (2R)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate
CID 102848129
1-(1-Oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-one
CID 102898096
1-[1-(1-Oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-yl]ethanone
CID 102898099
1-[1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone
CID 102898102

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone (CID 102898101) is 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1CC1CCC2(CCCC2)O1.
What is the InChIKey of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone?
The InChIKey is NPYSQAMZLIEOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(18)15-6-2-5-11-17(15)12-14-7-10-16(19-14)8-3-4-9-16/h14-15H,2-12H2,1H3.
What are the key properties of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone?
1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone has a molecular weight of 265.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 102898101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).