1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone

C22H24ClN3O3 — CID 75098882

About 1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone

1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone (PubChem CID 75098882) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone
• PubChem CID: 75098882
• Molecular Formula: C22H24ClN3O3
• Molecular Weight: 413.91 g/mol
• Exact Mass: 413.15
• IUPAC Name: 1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1ccc2c(c1)OCO2)N1CCCC(C2NNCC2c2cccc(Cl)c2)C1
• InChI: InChI=1S/C22H24ClN3O3/c23-17-5-1-3-14(9-17)18-11-24-25-21(18)16-4-2-8-26(12-16)22(27)15-6-7-19-20(10-15)29-13-28-19/h1,3,5-7,9-10,16,18,21,24-25H,2,4,8,11-13H2
• InChIKey: FLOGYFXFGDUHPP-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.91
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone?

The IUPAC name of 1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone (CID 75098882) is 1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone.

What is the SMILES notation for 1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone?

The canonical SMILES for 1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCCC(C2NNCC2c2cccc(Cl)c2)C1.

What is the InChIKey of 1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone?

The InChIKey is FLOGYFXFGDUHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c23-17-5-1-3-14(9-17)18-11-24-25-21(18)16-4-2-8-26(12-16)22(27)15-6-7-19-20(10-15)29-13-28-19/h1,3,5-7,9-10,16,18,21,24-25H,2,4,8,11-13H2.

What are the key properties of 1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone?

1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone has a molecular weight of 413.91 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzodioxol-5-yl-[3-[4-(3-chlorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 75098882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).