3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C22H30N4O5 — CID 45248689

About 3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 45248689) has the molecular formula C22H30N4O5 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
• PubChem CID: 45248689
• Molecular Formula: C22H30N4O5
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.22
• IUPAC Name: 3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
• SMILES: O=C(CN1CCOC1=O)N1CCCC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1
• InChI: InChI=1S/C22H30N4O5/c27-21(15-26-10-11-29-22(26)28)25-5-1-2-18(14-25)24-8-6-23(7-9-24)13-17-3-4-19-20(12-17)31-16-30-19/h3-4,12,18H,1-2,5-11,13-16H2
• InChIKey: QFZIDNLVZZAKTR-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 74.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 45248689) is 3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCCC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1.

What is the InChIKey of 3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

The InChIKey is QFZIDNLVZZAKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5/c27-21(15-26-10-11-29-22(26)28)25-5-1-2-18(14-25)24-8-6-23(7-9-24)13-17-3-4-19-20(12-17)31-16-30-19/h3-4,12,18H,1-2,5-11,13-16H2.

What are the key properties of 3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?

3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 430.51 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 45248689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).