(3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

C20H25N3O2 — CID 124914058

About (3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

(3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 124914058) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: (3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 124914058
• Molecular Formula: C20H25N3O2
• Molecular Weight: 339.44 g/mol
• Exact Mass: 339.19
• IUPAC Name: (3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
• SMILES: CCc1ccc(CN2CCC3(CC2)C[C@@H](c2ccncc2)C(=O)N3)o1
• InChI: InChI=1S/C20H25N3O2/c1-2-16-3-4-17(25-16)14-23-11-7-20(8-12-23)13-18(19(24)22-20)15-5-9-21-10-6-15/h3-6,9-10,18H,2,7-8,11-14H2,1H3,(H,22,24)/t18-/m0/s1
• InChIKey: UFKDWVAPLZPVJC-SFHVURJKSA-N
• XLogP: 2.88
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.44
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of (3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (CID 124914058) is (3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for (3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for (3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is CCc1ccc(CN2CCC3(CC2)C[C@@H](c2ccncc2)C(=O)N3)o1.

What is the InChIKey of (3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?

The InChIKey is UFKDWVAPLZPVJC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-16-3-4-17(25-16)14-23-11-7-20(8-12-23)13-18(19(24)22-20)15-5-9-21-10-6-15/h3-6,9-10,18H,2,7-8,11-14H2,1H3,(H,22,24)/t18-/m0/s1.

What are the key properties of (3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?

(3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 124914058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).