N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride

C21H34Cl2N4O3 — CID 154892741

About N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride

N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride (PubChem CID 154892741) has the molecular formula C21H34Cl2N4O3 and a molecular weight of 461.43 g/mol. Its IUPAC name is N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride
• PubChem CID: 154892741
• Molecular Formula: C21H34Cl2N4O3
• Molecular Weight: 461.43 g/mol
• Exact Mass: 460.20
• IUPAC Name: N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride
• SMILES: CC(=O)NCCN1CCCC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1.Cl.Cl
• InChI: InChI=1S/C21H32N4O3.2ClH/c1-17(26)22-6-8-23-7-2-3-19(15-23)25-11-9-24(10-12-25)14-18-4-5-20-21(13-18)28-16-27-20;;/h4-5,13,19H,2-3,6-12,14-16H2,1H3,(H,22,26);2*1H
• InChIKey: DVNQNQWAQKAZOR-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 57.28 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	461.43
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride?

The IUPAC name of N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride (CID 154892741) is N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride.

What is the SMILES notation for N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride?

The canonical SMILES for N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride is CC(=O)NCCN1CCCC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1.Cl.Cl.

What is the InChIKey of N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride?

The InChIKey is DVNQNQWAQKAZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3.2ClH/c1-17(26)22-6-8-23-7-2-3-19(15-23)25-11-9-24(10-12-25)14-18-4-5-20-21(13-18)28-16-27-20;;/h4-5,13,19H,2-3,6-12,14-16H2,1H3,(H,22,26);2*1H.

What are the key properties of N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride?

N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride has a molecular weight of 461.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 154892741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).