(5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C17H25N3O — CID 97369146

IUPAC(5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@H]1N(C)CCC[C@]12CCC(=O)N2Cc1ccncc1
InChIInChI=1S/C17H25N3O/c1-3-15-17(8-4-12-19(15)2)9-5-16(21)20(17)13-14-6-10-18-11-7-14/h6-7,10-11,15H,3-5,8-9,12-13H2,1-2H3/t15-,17+/m1/s1
InChIKeyYMLYZPJBXUMTSQ-WBVHZDCISA-N
MW287.41 g/mol
LogP2.45
Rot. Bonds3

About (5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

(5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97369146) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID97369146
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCC[C@H]1N(C)CCC[C@]12CCC(=O)N2Cc1ccncc1
InChIInChI=1S/C17H25N3O/c1-3-15-17(8-4-12-19(15)2)9-5-16(21)20(17)13-14-6-10-18-11-7-14/h6-7,10-11,15H,3-5,8-9,12-13H2,1-2H3/t15-,17+/m1/s1
InChIKeyYMLYZPJBXUMTSQ-WBVHZDCISA-N
XLogP2.45
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 97369146) is (5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is CC[C@H]1N(C)CCC[C@]12CCC(=O)N2Cc1ccncc1.
What is the InChIKey of (5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is YMLYZPJBXUMTSQ-WBVHZDCISA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-15-17(8-4-12-19(15)2)9-5-16(21)20(17)13-14-6-10-18-11-7-14/h6-7,10-11,15H,3-5,8-9,12-13H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
(5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97369146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).