3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one

C16H23N3O — CID 71865112

IUPAC3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)CN1C(=O)C2(CCCC2)NC1c1cccnc1
InChIInChI=1S/C16H23N3O/c1-12(2)11-19-14(13-6-5-9-17-10-13)18-16(15(19)20)7-3-4-8-16/h5-6,9-10,12,14,18H,3-4,7-8,11H2,1-2H3
InChIKeyUQEFVJGEPMSDOF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.48
Rot. Bonds3

About 3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one

3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 71865112) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID71865112
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)CN1C(=O)C2(CCCC2)NC1c1cccnc1
InChIInChI=1S/C16H23N3O/c1-12(2)11-19-14(13-6-5-9-17-10-13)18-16(15(19)20)7-3-4-8-16/h5-6,9-10,12,14,18H,3-4,7-8,11H2,1-2H3
InChIKeyUQEFVJGEPMSDOF-UHFFFAOYSA-N
XLogP2.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one (CID 71865112) is 3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one is CC(C)CN1C(=O)C2(CCCC2)NC1c1cccnc1.
What is the InChIKey of 3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is UQEFVJGEPMSDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)11-19-14(13-6-5-9-17-10-13)18-16(15(19)20)7-3-4-8-16/h5-6,9-10,12,14,18H,3-4,7-8,11H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 273.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2-pyridin-3-yl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 71865112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).