3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide

C18H25F2N3O — CID 119071698

About 3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide

3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide (PubChem CID 119071698) has the molecular formula C18H25F2N3O and a molecular weight of 337.41 g/mol. Its IUPAC name is 3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide
• PubChem CID: 119071698
• Molecular Formula: C18H25F2N3O
• Molecular Weight: 337.41 g/mol
• Exact Mass: 337.20
• IUPAC Name: 3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide
• SMILES: NC(=O)CCN1CCC2(CCCN(Cc3cccc(F)c3F)C2)C1
• InChI: InChI=1S/C18H25F2N3O/c19-15-4-1-3-14(17(15)20)11-23-8-2-6-18(13-23)7-10-22(12-18)9-5-16(21)24/h1,3-4H,2,5-13H2,(H2,21,24)
• InChIKey: JKPGROIPIAZVLX-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 49.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.41
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide?

The IUPAC name of 3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide (CID 119071698) is 3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide.

What is the SMILES notation for 3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide?

The canonical SMILES for 3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide is NC(=O)CCN1CCC2(CCCN(Cc3cccc(F)c3F)C2)C1.

What is the InChIKey of 3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide?

The InChIKey is JKPGROIPIAZVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O/c19-15-4-1-3-14(17(15)20)11-23-8-2-6-18(13-23)7-10-22(12-18)9-5-16(21)24/h1,3-4H,2,5-13H2,(H2,21,24).

What are the key properties of 3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide?

3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide has a molecular weight of 337.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide is sourced from PubChem (CID 119071698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).