1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone

C17H28N2O3 — CID 118738775

IUPAC1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
SMILESCC(=O)N1CCCC2(C1)CN(C(=O)C1CCCCC1)CCO2
InChIInChI=1S/C17H28N2O3/c1-14(20)18-9-5-8-17(12-18)13-19(10-11-22-17)16(21)15-6-3-2-4-7-15/h15H,2-13H2,1H3
InChIKeyJOFMHBDGUKJVLG-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.81
Rot. Bonds1

About 1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone

1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone (PubChem CID 118738775) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
PubChem CID118738775
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
SMILESCC(=O)N1CCCC2(C1)CN(C(=O)C1CCCCC1)CCO2
InChIInChI=1S/C17H28N2O3/c1-14(20)18-9-5-8-17(12-18)13-19(10-11-22-17)16(21)15-6-3-2-4-7-15/h15H,2-13H2,1H3
InChIKeyJOFMHBDGUKJVLG-UHFFFAOYSA-N
XLogP1.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The IUPAC name of 1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone (CID 118738775) is 1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone.
What is the SMILES notation for 1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The canonical SMILES for 1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone is CC(=O)N1CCCC2(C1)CN(C(=O)C1CCCCC1)CCO2.
What is the InChIKey of 1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The InChIKey is JOFMHBDGUKJVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-14(20)18-9-5-8-17(12-18)13-19(10-11-22-17)16(21)15-6-3-2-4-7-15/h15H,2-13H2,1H3.
What are the key properties of 1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone has a molecular weight of 308.42 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexanecarbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone is sourced from PubChem (CID 118738775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).