ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane

C34H77N5O2 — CID 176577196

About ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane

ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane (PubChem CID 176577196) has the molecular formula C34H77N5O2 and a molecular weight of 588.02 g/mol. Its IUPAC name is ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane.

Molecular Properties

• Compound Name: ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane
• PubChem CID: 176577196
• Molecular Formula: C34H77N5O2
• Molecular Weight: 588.02 g/mol
• Exact Mass: 587.61
• IUPAC Name: ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane
• SMILES: CC.CC.CCC.CCC.CCC.CCC(=O)N1CCC(CN2CCN(CC(=O)NCCN(C)C(C)C)CC2)CC1
• InChI: InChI=1S/C21H41N5O2.3C3H8.2C2H6/c1-5-21(28)26-9-6-19(7-10-26)16-24-12-14-25(15-13-24)17-20(27)22-8-11-23(4)18(2)3;3*1-3-2;2*1-2/h18-19H,5-17H2,1-4H3,(H,22,27);3*3H2,1-2H3;2*1-2H3
• InChIKey: CWXNGZWCWXAJKA-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 59.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.02
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane?

The IUPAC name of ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane (CID 176577196) is ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane.

What is the SMILES notation for ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane?

The canonical SMILES for ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane is CC.CC.CCC.CCC.CCC.CCC(=O)N1CCC(CN2CCN(CC(=O)NCCN(C)C(C)C)CC2)CC1.

What is the InChIKey of ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane?

The InChIKey is CWXNGZWCWXAJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N5O2.3C3H8.2C2H6/c1-5-21(28)26-9-6-19(7-10-26)16-24-12-14-25(15-13-24)17-20(27)22-8-11-23(4)18(2)3;3*1-3-2;2*1-2/h18-19H,5-17H2,1-4H3,(H,22,27);3*3H2,1-2H3;2*1-2H3.

What are the key properties of ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane?

ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane has a molecular weight of 588.02 g/mol, XLogP of 7.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]-2-[4-[(1-propanoylpiperidin-4-yl)methyl]piperazin-1-yl]acetamide;propane is sourced from PubChem (CID 176577196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).