9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

C18H19N3O2S — CID 118744318

IUPAC9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1cccnc1)N1CCCC2(CCN(c3ccsc3)C2=O)C1
InChIInChI=1S/C18H19N3O2S/c22-16(14-3-1-7-19-11-14)20-8-2-5-18(13-20)6-9-21(17(18)23)15-4-10-24-12-15/h1,3-4,7,10-12H,2,5-6,8-9,13H2
InChIKeySQMBXPMIWSHRRB-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.80
Rot. Bonds2

About 9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118744318) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118744318
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1cccnc1)N1CCCC2(CCN(c3ccsc3)C2=O)C1
InChIInChI=1S/C18H19N3O2S/c22-16(14-3-1-7-19-11-14)20-8-2-5-18(13-20)6-9-21(17(18)23)15-4-10-24-12-15/h1,3-4,7,10-12H,2,5-6,8-9,13H2
InChIKeySQMBXPMIWSHRRB-UHFFFAOYSA-N
XLogP2.80
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (CID 118744318) is 9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is O=C(c1cccnc1)N1CCCC2(CCN(c3ccsc3)C2=O)C1.
What is the InChIKey of 9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is SQMBXPMIWSHRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-16(14-3-1-7-19-11-14)20-8-2-5-18(13-20)6-9-21(17(18)23)15-4-10-24-12-15/h1,3-4,7,10-12H,2,5-6,8-9,13H2.
What are the key properties of 9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 341.44 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118744318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).