8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one

C18H30N2O2 — CID 26347985

IUPAC8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CCC12CCN(C(=O)CCC1CCCCC1)CC2
InChIInChI=1S/C18H30N2O2/c1-19-16(21)9-10-18(19)11-13-20(14-12-18)17(22)8-7-15-5-3-2-4-6-15/h15H,2-14H2,1H3
InChIKeySPQHUMDFKOKTFP-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.96
Rot. Bonds3

About 8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one

8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 26347985) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID26347985
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CCC12CCN(C(=O)CCC1CCCCC1)CC2
InChIInChI=1S/C18H30N2O2/c1-19-16(21)9-10-18(19)11-13-20(14-12-18)17(22)8-7-15-5-3-2-4-6-15/h15H,2-14H2,1H3
InChIKeySPQHUMDFKOKTFP-UHFFFAOYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-8-[2-(oxolan-3-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131932524
3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 90510415
3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
CID 121187051
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45338210
2-cyclopentyl-N-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)acetamide
CID 97397416
3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
CID 110185891
4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707393
1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119743478
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 3877023
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119743484

Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one (CID 26347985) is 8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)CCC12CCN(C(=O)CCC1CCCCC1)CC2.
What is the InChIKey of 8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SPQHUMDFKOKTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-19-16(21)9-10-18(19)11-13-20(14-12-18)17(22)8-7-15-5-3-2-4-6-15/h15H,2-14H2,1H3.
What are the key properties of 8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one?
8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 306.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 26347985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).