3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one

C17H28N2O2 — CID 110196187

IUPAC3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESO=C1CCC2(CCN1)CCN(C(=O)C1CCCCC1)CC2
InChIInChI=1S/C17H28N2O2/c20-15-6-7-17(8-11-18-15)9-12-19(13-10-17)16(21)14-4-2-1-3-5-14/h14H,1-13H2,(H,18,20)
InChIKeyXPYNNRRXSBBLIJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.48
Rot. Bonds1

About 3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one

3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 110196187) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID110196187
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESO=C1CCC2(CCN1)CCN(C(=O)C1CCCCC1)CC2
InChIInChI=1S/C17H28N2O2/c20-15-6-7-17(8-11-18-15)9-12-19(13-10-17)16(21)14-4-2-1-3-5-14/h14H,1-13H2,(H,18,20)
InChIKeyXPYNNRRXSBBLIJ-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 110196187) is 3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one is O=C1CCC2(CCN1)CCN(C(=O)C1CCCCC1)CC2.
What is the InChIKey of 3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is XPYNNRRXSBBLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-15-6-7-17(8-11-18-15)9-12-19(13-10-17)16(21)14-4-2-1-3-5-14/h14H,1-13H2,(H,18,20).
What are the key properties of 3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 292.42 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonyl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 110196187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).