1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone

C18H30N2O2 — CID 168882358

IUPAC1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone
SMILESCC(=O)C1CCC2(CCN(C(=O)C3CCN(C)CC3)CC2)C1
InChIInChI=1S/C18H30N2O2/c1-14(21)16-3-6-18(13-16)7-11-20(12-8-18)17(22)15-4-9-19(2)10-5-15/h15-16H,3-13H2,1-2H3
InChIKeyJEISUHIQFXWING-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.33
Rot. Bonds2

About 1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone

1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone (PubChem CID 168882358) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone.

Molecular Properties

Compound Name1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone
PubChem CID168882358
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone
SMILESCC(=O)C1CCC2(CCN(C(=O)C3CCN(C)CC3)CC2)C1
InChIInChI=1S/C18H30N2O2/c1-14(21)16-3-6-18(13-16)7-11-20(12-8-18)17(22)15-4-9-19(2)10-5-15/h15-16H,3-13H2,1-2H3
InChIKeyJEISUHIQFXWING-UHFFFAOYSA-N
XLogP2.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpiperidin-4-yl)methanone
CID 156836980
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium
CID 176684065
[8-(3-methylcyclobutanecarbonyl)-8-azaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 131684368
ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone
CID 168882155
(7-methyl-7-azaspiro[3.5]nonan-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 169257517
ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 169258026
cyclopropyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 126759987
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane
CID 145047717
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 69084155
(4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone
CID 170373750

Frequently Asked Questions

What is the IUPAC name of 1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone?
The IUPAC name of 1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone (CID 168882358) is 1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone.
What is the SMILES notation for 1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone?
The canonical SMILES for 1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone is CC(=O)C1CCC2(CCN(C(=O)C3CCN(C)CC3)CC2)C1.
What is the InChIKey of 1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone?
The InChIKey is JEISUHIQFXWING-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(21)16-3-6-18(13-16)7-11-20(12-8-18)17(22)15-4-9-19(2)10-5-15/h15-16H,3-13H2,1-2H3.
What are the key properties of 1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone?
1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone has a molecular weight of 306.45 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone is sourced from PubChem (CID 168882358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).