3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one

C18H27N3O2 — CID 56757966

IUPAC3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(=O)N2CCCC3(CCNC3)C2)c1=O
InChIInChI=1S/C18H27N3O2/c1-4-21-14(3)10-13(2)15(17(21)23)16(22)20-9-5-6-18(12-20)7-8-19-11-18/h10,19H,4-9,11-12H2,1-3H3
InChIKeySSNGMDXQEUJZPU-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.70
Rot. Bonds2

About 3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one

3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one (PubChem CID 56757966) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one
PubChem CID56757966
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(=O)N2CCCC3(CCNC3)C2)c1=O
InChIInChI=1S/C18H27N3O2/c1-4-21-14(3)10-13(2)15(17(21)23)16(22)20-9-5-6-18(12-20)7-8-19-11-18/h10,19H,4-9,11-12H2,1-3H3
InChIKeySSNGMDXQEUJZPU-UHFFFAOYSA-N
XLogP1.70
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one?
The IUPAC name of 3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one (CID 56757966) is 3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one is CCn1c(C)cc(C)c(C(=O)N2CCCC3(CCNC3)C2)c1=O.
What is the InChIKey of 3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one?
The InChIKey is SSNGMDXQEUJZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-21-14(3)10-13(2)15(17(21)23)16(22)20-9-5-6-18(12-20)7-8-19-11-18/h10,19H,4-9,11-12H2,1-3H3.
What are the key properties of 3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one?
3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one has a molecular weight of 317.43 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 56757966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).