1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C18H30N2O3 — CID 87054545

IUPAC1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CC(CO)C2(CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C18H30N2O3/c1-14(22)20-11-16(12-21)18(13-20)7-9-19(10-8-18)17(23)15-5-3-2-4-6-15/h15-16,21H,2-13H2,1H3
InChIKeyBRWAPKYBMZPLAI-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.65
Rot. Bonds2

About 1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 87054545) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID87054545
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCC(=O)N1CC(CO)C2(CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C18H30N2O3/c1-14(22)20-11-16(12-21)18(13-20)7-9-19(10-8-18)17(23)15-5-3-2-4-6-15/h15-16,21H,2-13H2,1H3
InChIKeyBRWAPKYBMZPLAI-UHFFFAOYSA-N
XLogP1.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 87054545) is 1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CC(=O)N1CC(CO)C2(CCN(C(=O)C3CCCCC3)CC2)C1.
What is the InChIKey of 1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is BRWAPKYBMZPLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14(22)20-11-16(12-21)18(13-20)7-9-19(10-8-18)17(23)15-5-3-2-4-6-15/h15-16,21H,2-13H2,1H3.
What are the key properties of 1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 322.45 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(cyclohexanecarbonyl)-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 87054545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).