N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone

C32H43F2N3O3 — CID 176582609

About N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone

N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone (PubChem CID 176582609) has the molecular formula C32H43F2N3O3 and a molecular weight of 555.71 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone
• PubChem CID: 176582609
• Molecular Formula: C32H43F2N3O3
• Molecular Weight: 555.71 g/mol
• Exact Mass: 555.33
• IUPAC Name: N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone
• SMILES: CC(C)C(=O)C(NC(=O)c1ccccc1)C1CCCCC1.O=C(CNCc1ccc(F)cc1F)N1CCCCC1
• InChI: InChI=1S/C18H25NO2.C14H18F2N2O/c1-13(2)17(20)16(14-9-5-3-6-10-14)19-18(21)15-11-7-4-8-12-15;15-12-5-4-11(13(16)8-12)9-17-10-14(19)18-6-2-1-3-7-18/h4,7-8,11-14,16H,3,5-6,9-10H2,1-2H3,(H,19,21);4-5,8,17H,1-3,6-7,9-10H2
• InChIKey: YBYCRBJMJGDJRF-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.71
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone?

The IUPAC name of N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone (CID 176582609) is N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone.

What is the SMILES notation for N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone?

The canonical SMILES for N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone is CC(C)C(=O)C(NC(=O)c1ccccc1)C1CCCCC1.O=C(CNCc1ccc(F)cc1F)N1CCCCC1.

What is the InChIKey of N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone?

The InChIKey is YBYCRBJMJGDJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2.C14H18F2N2O/c1-13(2)17(20)16(14-9-5-3-6-10-14)19-18(21)15-11-7-4-8-12-15;15-12-5-4-11(13(16)8-12)9-17-10-14(19)18-6-2-1-3-7-18/h4,7-8,11-14,16H,3,5-6,9-10H2,1-2H3,(H,19,21);4-5,8,17H,1-3,6-7,9-10H2.

What are the key properties of N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone?

N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone has a molecular weight of 555.71 g/mol, XLogP of 5.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclohexyl-3-methyl-2-oxobutyl)benzamide;2-[(2,4-difluorophenyl)methylamino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 176582609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).