1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone

C17H29NO2 — CID 102898102

IUPAC1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H29NO2/c1-14(19)16-7-3-6-12-18(16)13-15-8-11-17(20-15)9-4-2-5-10-17/h15-16H,2-13H2,1H3
InChIKeyYZYIPXXHJOPHTG-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.31
Rot. Bonds3

About 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone

1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone (PubChem CID 102898102) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone
PubChem CID102898102
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H29NO2/c1-14(19)16-7-3-6-12-18(16)13-15-8-11-17(20-15)9-4-2-5-10-17/h15-16H,2-13H2,1H3
InChIKeyYZYIPXXHJOPHTG-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]piperidin-3-one
CID 58333054
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]cyclohexan-1-one
CID 79553492
Ethyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79909785
Methyl 1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79919753
Methyl 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate
CID 102848049
Methyl 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-3-carboxylate
CID 102848128
methyl (2R)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboxylate
CID 102848129
1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-one
CID 102898097
1-[1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]ethanone
CID 102898098
1-[1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidin-4-yl]ethanone
CID 102898100

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone (CID 102898102) is 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1CC1CCC2(CCCCC2)O1.
What is the InChIKey of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone?
The InChIKey is YZYIPXXHJOPHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(19)16-7-3-6-12-18(16)13-15-8-11-17(20-15)9-4-2-5-10-17/h15-16H,2-13H2,1H3.
What are the key properties of 1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone?
1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone has a molecular weight of 279.42 g/mol, XLogP of 3.31, 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[4.5]decan-2-ylmethyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 102898102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).