3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one

C16H22N2O2 — CID 71873414

IUPAC3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC3(CCCCC3)C2)c(=O)[nH]1
InChIInChI=1S/C16H22N2O2/c1-12-5-6-13(14(19)17-12)15(20)18-10-9-16(11-18)7-3-2-4-8-16/h5-6H,2-4,7-11H2,1H3,(H,17,19)
InChIKeyDUFUAIPPHSKXSM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.48
Rot. Bonds1

About 3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one

3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one (PubChem CID 71873414) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one
PubChem CID71873414
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC3(CCCCC3)C2)c(=O)[nH]1
InChIInChI=1S/C16H22N2O2/c1-12-5-6-13(14(19)17-12)15(20)18-10-9-16(11-18)7-3-2-4-8-16/h5-6H,2-4,7-11H2,1H3,(H,17,19)
InChIKeyDUFUAIPPHSKXSM-UHFFFAOYSA-N
XLogP2.48
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one (CID 71873414) is 3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCC3(CCCCC3)C2)c(=O)[nH]1.
What is the InChIKey of 3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is DUFUAIPPHSKXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-5-6-13(14(19)17-12)15(20)18-10-9-16(11-18)7-3-2-4-8-16/h5-6H,2-4,7-11H2,1H3,(H,17,19).
What are the key properties of 3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one?
3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[4.5]decane-2-carbonyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 71873414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).