(5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C19H25N3O3 — CID 97473214

About (5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

(5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 97473214) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: (5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
• PubChem CID: 97473214
• Molecular Formula: C19H25N3O3
• Molecular Weight: 343.43 g/mol
• Exact Mass: 343.19
• IUPAC Name: (5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
• SMILES: O=C([C@@H]1CCCO1)N1CCC[C@]2(CCC(=O)N2Cc2cccnc2)C1
• InChI: InChI=1S/C19H25N3O3/c23-17-6-8-19(22(17)13-15-4-1-9-20-12-15)7-3-10-21(14-19)18(24)16-5-2-11-25-16/h1,4,9,12,16H,2-3,5-8,10-11,13-14H2/t16-,19-/m0/s1
• InChIKey: VQIPYGJQYCJTGW-LPHOPBHVSA-N
• XLogP: 1.74
• TPSA: 62.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?

The IUPAC name of (5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 97473214) is (5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for (5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?

The canonical SMILES for (5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is O=C([C@@H]1CCCO1)N1CCC[C@]2(CCC(=O)N2Cc2cccnc2)C1.

What is the InChIKey of (5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?

The InChIKey is VQIPYGJQYCJTGW-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17-6-8-19(22(17)13-15-4-1-9-20-12-15)7-3-10-21(14-19)18(24)16-5-2-11-25-16/h1,4,9,12,16H,2-3,5-8,10-11,13-14H2/t16-,19-/m0/s1.

What are the key properties of (5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?

(5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97473214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).