2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C18H19N3O2S — CID 118743744

IUPAC2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1ccsc1)N1CCC2(CCN(Cc3ccccn3)C2=O)C1
InChIInChI=1S/C18H19N3O2S/c22-16(14-4-10-24-12-14)21-9-6-18(13-21)5-8-20(17(18)23)11-15-3-1-2-7-19-15/h1-4,7,10,12H,5-6,8-9,11,13H2
InChIKeyDKAPRNOOGKKCBE-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.41
Rot. Bonds3

About 2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 118743744) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID118743744
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1ccsc1)N1CCC2(CCN(Cc3ccccn3)C2=O)C1
InChIInChI=1S/C18H19N3O2S/c22-16(14-4-10-24-12-14)21-9-6-18(13-21)5-8-20(17(18)23)11-15-3-1-2-7-19-15/h1-4,7,10,12H,5-6,8-9,11,13H2
InChIKeyDKAPRNOOGKKCBE-UHFFFAOYSA-N
XLogP2.41
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 118743744) is 2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C(c1ccsc1)N1CCC2(CCN(Cc3ccccn3)C2=O)C1.
What is the InChIKey of 2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is DKAPRNOOGKKCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-16(14-4-10-24-12-14)21-9-6-18(13-21)5-8-20(17(18)23)11-15-3-1-2-7-19-15/h1-4,7,10,12H,5-6,8-9,11,13H2.
What are the key properties of 2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 341.44 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 118743744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).