7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C21H28N2O4 — CID 72884086

IUPAC7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCCN(C4CCCCC4)C3=O)C2)o1
InChIInChI=1S/C21H28N2O4/c1-15-12-17(24)13-18(27-15)19(25)22-11-9-21(14-22)8-5-10-23(20(21)26)16-6-3-2-4-7-16/h12-13,16H,2-11,14H2,1H3
InChIKeyLBZODFQTJRYYQU-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.74
Rot. Bonds2

About 7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72884086) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72884086
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(=O)cc(C(=O)N2CCC3(CCCN(C4CCCCC4)C3=O)C2)o1
InChIInChI=1S/C21H28N2O4/c1-15-12-17(24)13-18(27-15)19(25)22-11-9-21(14-22)8-5-10-23(20(21)26)16-6-3-2-4-7-16/h12-13,16H,2-11,14H2,1H3
InChIKeyLBZODFQTJRYYQU-UHFFFAOYSA-N
XLogP2.74
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72884086) is 7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(=O)cc(C(=O)N2CCC3(CCCN(C4CCCCC4)C3=O)C2)o1.
What is the InChIKey of 7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LBZODFQTJRYYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-15-12-17(24)13-18(27-15)19(25)22-11-9-21(14-22)8-5-10-23(20(21)26)16-6-3-2-4-7-16/h12-13,16H,2-11,14H2,1H3.
What are the key properties of 7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 372.47 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72884086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).