N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen

C28H45FN2O3 — CID 176575708

About N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen

N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen (PubChem CID 176575708) has the molecular formula C28H45FN2O3 and a molecular weight of 476.68 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen
• PubChem CID: 176575708
• Molecular Formula: C28H45FN2O3
• Molecular Weight: 476.68 g/mol
• Exact Mass: 476.34
• IUPAC Name: N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen
• SMILES: CC.CC(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C(C)(C)C)C2)c1F)C1CCCCC1.[H][H]
• InChI: InChI=1S/C26H37FN2O3.C2H6.H2/c1-17(30)23(18-10-6-5-7-11-18)28-24(31)21-14-8-13-20(22(21)27)19-12-9-15-29(16-19)25(32)26(2,3)4;1-2;/h8,13-14,18-19,23H,5-7,9-12,15-16H2,1-4H3,(H,28,31);1-2H3;1H/t19?,23-;;/m0../s1
• InChIKey: GGCRBGIFBSZZRA-NNGCCMNPSA-N
• XLogP: 6.12
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.68
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen?

The IUPAC name of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen (CID 176575708) is N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen.

What is the SMILES notation for N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen?

The canonical SMILES for N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen is CC.CC(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C(C)(C)C)C2)c1F)C1CCCCC1.[H][H].

What is the InChIKey of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen?

The InChIKey is GGCRBGIFBSZZRA-NNGCCMNPSA-N. The full InChI is InChI=1S/C26H37FN2O3.C2H6.H2/c1-17(30)23(18-10-6-5-7-11-18)28-24(31)21-14-8-13-20(22(21)27)19-12-9-15-29(16-19)25(32)26(2,3)4;1-2;/h8,13-14,18-19,23H,5-7,9-12,15-16H2,1-4H3,(H,28,31);1-2H3;1H/t19?,23-;;/m0../s1.

What are the key properties of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen?

N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen has a molecular weight of 476.68 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide;ethane;molecular hydrogen is sourced from PubChem (CID 176575708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).