N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide

C22H32N4O4 — CID 45249937

About N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide

N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide (PubChem CID 45249937) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide
• PubChem CID: 45249937
• Molecular Formula: C22H32N4O4
• Molecular Weight: 416.52 g/mol
• Exact Mass: 416.24
• IUPAC Name: N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide
• SMILES: CC(=O)NCCC(=O)N1CCCC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1
• InChI: InChI=1S/C22H32N4O4/c1-17(27)23-7-6-22(28)26-8-2-3-19(15-26)25-11-9-24(10-12-25)14-18-4-5-20-21(13-18)30-16-29-20/h4-5,13,19H,2-3,6-12,14-16H2,1H3,(H,23,27)
• InChIKey: HJVKEZGLCXOIPA-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 74.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.52
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide?

The IUPAC name of N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide (CID 45249937) is N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide.

What is the SMILES notation for N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide?

The canonical SMILES for N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCCC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1.

What is the InChIKey of N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide?

The InChIKey is HJVKEZGLCXOIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-17(27)23-7-6-22(28)26-8-2-3-19(15-26)25-11-9-24(10-12-25)14-18-4-5-20-21(13-18)30-16-29-20/h4-5,13,19H,2-3,6-12,14-16H2,1H3,(H,23,27).

What are the key properties of N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide?

N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 416.52 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 45249937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).