cyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone

C16H28N2O2 — CID 118738773

IUPACcyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
SMILESCN1CCCC2(C1)CN(C(=O)C1CCCCC1)CCO2
InChIInChI=1S/C16H28N2O2/c1-17-9-5-8-16(12-17)13-18(10-11-20-16)15(19)14-6-3-2-4-7-14/h14H,2-13H2,1H3
InChIKeyPQAYDGUOERBNSR-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.89
Rot. Bonds1

About cyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone

cyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone (PubChem CID 118738773) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is cyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
PubChem CID118738773
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Namecyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
SMILESCN1CCCC2(C1)CN(C(=O)C1CCCCC1)CCO2
InChIInChI=1S/C16H28N2O2/c1-17-9-5-8-16(12-17)13-18(10-11-20-16)15(19)14-6-3-2-4-7-14/h14H,2-13H2,1H3
InChIKeyPQAYDGUOERBNSR-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of cyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone (CID 118738773) is cyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for cyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for cyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone is CN1CCCC2(C1)CN(C(=O)C1CCCCC1)CCO2.
What is the InChIKey of cyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is PQAYDGUOERBNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-17-9-5-8-16(12-17)13-18(10-11-20-16)15(19)14-6-3-2-4-7-14/h14H,2-13H2,1H3.
What are the key properties of cyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
cyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 280.41 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 118738773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).