ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide

C33H71N5O3 — CID 142368277

About ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide

ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide (PubChem CID 142368277) has the molecular formula C33H71N5O3 and a molecular weight of 585.96 g/mol. Its IUPAC name is ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide.

Molecular Properties

• Compound Name: ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide
• PubChem CID: 142368277
• Molecular Formula: C33H71N5O3
• Molecular Weight: 585.96 g/mol
• Exact Mass: 585.56
• IUPAC Name: ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide
• SMILES: CC.CC.CC.CNCC(C)CC(C)(C)CN1CCC(OC2CC(NC(=O)CN3CCN(CCOC)CC3)C2)CC1
• InChI: InChI=1S/C27H53N5O3.3C2H6/c1-22(19-28-4)18-27(2,3)21-32-8-6-24(7-9-32)35-25-16-23(17-25)29-26(33)20-31-12-10-30(11-13-31)14-15-34-5;3*1-2/h22-25,28H,6-21H2,1-5H3,(H,29,33);3*1-2H3
• InChIKey: RKFPIXLPBBRHNO-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 69.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.96
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide?

The IUPAC name of ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide (CID 142368277) is ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide.

What is the SMILES notation for ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide?

The canonical SMILES for ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide is CC.CC.CC.CNCC(C)CC(C)(C)CN1CCC(OC2CC(NC(=O)CN3CCN(CCOC)CC3)C2)CC1.

What is the InChIKey of ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide?

The InChIKey is RKFPIXLPBBRHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53N5O3.3C2H6/c1-22(19-28-4)18-27(2,3)21-32-8-6-24(7-9-32)35-25-16-23(17-25)29-26(33)20-31-12-10-30(11-13-31)14-15-34-5;3*1-2/h22-25,28H,6-21H2,1-5H3,(H,29,33);3*1-2H3.

What are the key properties of ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide?

ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide has a molecular weight of 585.96 g/mol, XLogP of 4.73, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide is sourced from PubChem (CID 142368277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).