acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane

About acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane

acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane (PubChem CID 176582014) has the molecular formula C44H64FN7O6 and a molecular weight of 806.04 g/mol. Its IUPAC name is acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane.

Molecular Properties

Compound Name	acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane
PubChem CID	176582014
Molecular Formula	C44H64FN7O6
Molecular Weight	806.04 g/mol
Exact Mass	805.49
IUPAC Name	acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane
SMILES	CC.CC(N)=O.[H]/N=C(\Cc1ccc(F)c(C(=O)N2CCN(C(=O)CN3CCC(OC4CCN(C(=O)CC5CCCCC5)CC4)CC3)CC2)c1)c1ccccc1C(N)=O
InChI	InChI=1S/C40H53FN6O5.C2H5NO.C2H6/c41-35-11-10-29(25-36(42)32-8-4-5-9-33(32)39(43)50)24-34(35)40(51)47-22-20-46(21-23-47)38(49)27-44-16-12-30(13-17-44)52-31-14-18-45(19-15-31)37(48)26-28-6-2-1-3-7-28;1-2(3)4;1-2/h4-5,8-11,24,28,30-31,42H,1-3,6-7,12-23,25-27H2,(H2,43,50);1H3,(H2,3,4);1-2H3/b42-36+;;
InChIKey	MNAKWXJNBRQFMO-UDWOSXRWSA-N
XLogP	4.78
TPSA	183.43 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	11
Heavy Atoms	58
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	806.04
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane?

The IUPAC name of acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane (CID 176582014) is acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane.

What is the SMILES notation for acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane?

The canonical SMILES for acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane is CC.CC(N)=O.[H]/N=C(\Cc1ccc(F)c(C(=O)N2CCN(C(=O)CN3CCC(OC4CCN(C(=O)CC5CCCCC5)CC4)CC3)CC2)c1)c1ccccc1C(N)=O.

What is the InChIKey of acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane?

The InChIKey is MNAKWXJNBRQFMO-UDWOSXRWSA-N. The full InChI is InChI=1S/C40H53FN6O5.C2H5NO.C2H6/c41-35-11-10-29(25-36(42)32-8-4-5-9-33(32)39(43)50)24-34(35)40(51)47-22-20-46(21-23-47)38(49)27-44-16-12-30(13-17-44)52-31-14-18-45(19-15-31)37(48)26-28-6-2-1-3-7-28;1-2(3)4;1-2/h4-5,8-11,24,28,30-31,42H,1-3,6-7,12-23,25-27H2,(H2,43,50);1H3,(H2,3,4);1-2H3/b42-36+;;.

What are the key properties of acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane?

acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane has a molecular weight of 806.04 g/mol, XLogP of 4.78, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for acetamide;2-[2-[3-[4-[2-[4-[1-(2-cyclohexylacetyl)piperidin-4-yl]oxypiperidin-1-yl]acetyl]piperazine-1-carbonyl]-4-fluorophenyl]ethanimidoyl]benzamide;ethane is sourced from PubChem (CID 176582014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).