9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C21H29N3O3 — CID 97124416

About 9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97124416) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97124416
• Molecular Formula: C21H29N3O3
• Molecular Weight: 371.48 g/mol
• Exact Mass: 371.22
• IUPAC Name: 9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: O=C1CCC2(CCN(C(=O)[C@H]3CCCCO3)CC2)CN1Cc1ccccn1
• InChI: InChI=1S/C21H29N3O3/c25-19-7-8-21(16-24(19)15-17-5-1-3-11-22-17)9-12-23(13-10-21)20(26)18-6-2-4-14-27-18/h1,3,5,11,18H,2,4,6-10,12-16H2/t18-/m1/s1
• InChIKey: IVPUQUOJTYJXDY-GOSISDBHSA-N
• XLogP: 2.38
• TPSA: 62.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.48
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97124416) is 9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(C(=O)[C@H]3CCCCO3)CC2)CN1Cc1ccccn1.

What is the InChIKey of 9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is IVPUQUOJTYJXDY-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-19-7-8-21(16-24(19)15-17-5-1-3-11-22-17)9-12-23(13-10-21)20(26)18-6-2-4-14-27-18/h1,3,5,11,18H,2,4,6-10,12-16H2/t18-/m1/s1.

What are the key properties of 9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?

9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.48 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2R)-oxane-2-carbonyl]-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97124416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).