5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one

C28H37N3O3 — CID 170119348

About 5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one

5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one (PubChem CID 170119348) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is 5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one
• PubChem CID: 170119348
• Molecular Formula: C28H37N3O3
• Molecular Weight: 463.62 g/mol
• Exact Mass: 463.28
• IUPAC Name: 5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one
• SMILES: C=C1NC(=O)CCC1N1Cc2cc(OC3CCCC3N3CCC4(CCCCC4)C3)ccc2C1=O
• InChI: InChI=1S/C28H37N3O3/c1-19-23(10-11-26(32)29-19)31-17-20-16-21(8-9-22(20)27(31)33)34-25-7-5-6-24(25)30-15-14-28(18-30)12-3-2-4-13-28/h8-9,16,23-25H,1-7,10-15,17-18H2,(H,29,32)
• InChIKey: KMOMRSZYMRIPFY-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.62
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one?

The IUPAC name of 5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one (CID 170119348) is 5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one.

What is the SMILES notation for 5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one?

The canonical SMILES for 5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one is C=C1NC(=O)CCC1N1Cc2cc(OC3CCCC3N3CCC4(CCCCC4)C3)ccc2C1=O.

What is the InChIKey of 5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one?

The InChIKey is KMOMRSZYMRIPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-19-23(10-11-26(32)29-19)31-17-20-16-21(8-9-22(20)27(31)33)34-25-7-5-6-24(25)30-15-14-28(18-30)12-3-2-4-13-28/h8-9,16,23-25H,1-7,10-15,17-18H2,(H,29,32).

What are the key properties of 5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one?

5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one has a molecular weight of 463.62 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 170119348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).