2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride

C20H29Cl2F2N3O — CID 154897760

About 2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride

2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride (PubChem CID 154897760) has the molecular formula C20H29Cl2F2N3O and a molecular weight of 436.37 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride.

Molecular Properties

• Compound Name: 2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride
• PubChem CID: 154897760
• Molecular Formula: C20H29Cl2F2N3O
• Molecular Weight: 436.37 g/mol
• Exact Mass: 435.17
• IUPAC Name: 2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride
• SMILES: Cl.Cl.O=C1CC2(CCN(C3CCCNC3)CC2)CN1Cc1cc(F)cc(F)c1
• InChI: InChI=1S/C20H27F2N3O.2ClH/c21-16-8-15(9-17(22)10-16)13-25-14-20(11-19(25)26)3-6-24(7-4-20)18-2-1-5-23-12-18;;/h8-10,18,23H,1-7,11-14H2;2*1H
• InChIKey: AZSJPWPZKUGYPY-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.37
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride?

The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride (CID 154897760) is 2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride.

What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride?

The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride is Cl.Cl.O=C1CC2(CCN(C3CCCNC3)CC2)CN1Cc1cc(F)cc(F)c1.

What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride?

The InChIKey is AZSJPWPZKUGYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O.2ClH/c21-16-8-15(9-17(22)10-16)13-25-14-20(11-19(25)26)3-6-24(7-4-20)18-2-1-5-23-12-18;;/h8-10,18,23H,1-7,11-14H2;2*1H.

What are the key properties of 2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride?

2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride has a molecular weight of 436.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride is sourced from PubChem (CID 154897760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).