(2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride

C20H27ClF2N2O2 — CID 70262560

About (2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride

(2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride (PubChem CID 70262560) has the molecular formula C20H27ClF2N2O2 and a molecular weight of 400.90 g/mol. Its IUPAC name is (2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride.

Molecular Properties

• Compound Name: (2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride
• PubChem CID: 70262560
• Molecular Formula: C20H27ClF2N2O2
• Molecular Weight: 400.90 g/mol
• Exact Mass: 400.17
• IUPAC Name: (2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride
• SMILES: Cl.O=C(N1CCC2(CC1)CNC2)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1
• InChI: InChI=1S/C20H26F2N2O2.ClH/c21-19(22)7-6-16(12-19)20(26,15-4-2-1-3-5-15)17(25)24-10-8-18(9-11-24)13-23-14-18;/h1-5,16,23,26H,6-14H2;1H/t16-,20+;/m1./s1
• InChIKey: OYLQQHTWGGMDRA-PXPMWPIZSA-N
• XLogP: 2.94
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.90
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride?

The IUPAC name of (2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride (CID 70262560) is (2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride.

What is the SMILES notation for (2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride?

The canonical SMILES for (2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride is Cl.O=C(N1CCC2(CC1)CNC2)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1.

What is the InChIKey of (2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride?

The InChIKey is OYLQQHTWGGMDRA-PXPMWPIZSA-N. The full InChI is InChI=1S/C20H26F2N2O2.ClH/c21-19(22)7-6-16(12-19)20(26,15-4-2-1-3-5-15)17(25)24-10-8-18(9-11-24)13-23-14-18;/h1-5,16,23,26H,6-14H2;1H/t16-,20+;/m1./s1.

What are the key properties of (2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride?

(2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride has a molecular weight of 400.90 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride is sourced from PubChem (CID 70262560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).