7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one

C19H27N3O — CID 24759748

IUPAC7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCCCC2)CCC12CCCN2Cc1ccccn1
InChIInChI=1S/C19H27N3O/c23-18-19(11-14-22(18)17-8-2-1-3-9-17)10-6-13-21(19)15-16-7-4-5-12-20-16/h4-5,7,12,17H,1-3,6,8-11,13-15H2
InChIKeyLUBKSMXSUVFOSX-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.98
Rot. Bonds3

About 7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one

7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 24759748) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID24759748
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1N(C2CCCCC2)CCC12CCCN2Cc1ccccn1
InChIInChI=1S/C19H27N3O/c23-18-19(11-14-22(18)17-8-2-1-3-9-17)10-6-13-21(19)15-16-7-4-5-12-20-16/h4-5,7,12,17H,1-3,6,8-11,13-15H2
InChIKeyLUBKSMXSUVFOSX-UHFFFAOYSA-N
XLogP2.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one (CID 24759748) is 7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one is O=C1N(C2CCCCC2)CCC12CCCN2Cc1ccccn1.
What is the InChIKey of 7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is LUBKSMXSUVFOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c23-18-19(11-14-22(18)17-8-2-1-3-9-17)10-6-13-21(19)15-16-7-4-5-12-20-16/h4-5,7,12,17H,1-3,6,8-11,13-15H2.
What are the key properties of 7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one?
7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 313.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 24759748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).