N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid

C32H43FN2O8 — CID 10348614

About N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid

N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid (PubChem CID 10348614) has the molecular formula C32H43FN2O8 and a molecular weight of 602.70 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid
• PubChem CID: 10348614
• Molecular Formula: C32H43FN2O8
• Molecular Weight: 602.70 g/mol
• Exact Mass: 602.30
• IUPAC Name: N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid
• SMILES: CC(C)COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCC3OC[C@H](C)O3)CC2)cc1.O=C(O)C(=O)O
• InChI: InChI=1S/C30H41FN2O4.C2H2O4/c1-22(2)20-35-28-10-6-24(7-11-28)18-29(34)33(19-25-4-8-26(31)9-5-25)27-12-15-32(16-13-27)17-14-30-36-21-23(3)37-30;3-1(4)2(5)6/h4-11,22-23,27,30H,12-21H2,1-3H3;(H,3,4)(H,5,6)/t23-,30?;/m0./s1
• InChIKey: LXBJWYNFDLUAAY-ZLEFZYDOSA-N
• XLogP: 4.20
• TPSA: 125.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.70
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid?

The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid (CID 10348614) is N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid is CC(C)COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCC3OC[C@H](C)O3)CC2)cc1.O=C(O)C(=O)O.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid?

The InChIKey is LXBJWYNFDLUAAY-ZLEFZYDOSA-N. The full InChI is InChI=1S/C30H41FN2O4.C2H2O4/c1-22(2)20-35-28-10-6-24(7-11-28)18-29(34)33(19-25-4-8-26(31)9-5-25)27-12-15-32(16-13-27)17-14-30-36-21-23(3)37-30;3-1(4)2(5)6/h4-11,22-23,27,30H,12-21H2,1-3H3;(H,3,4)(H,5,6)/t23-,30?;/m0./s1.

What are the key properties of N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid?

N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid has a molecular weight of 602.70 g/mol, XLogP of 4.20, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-N-[1-[2-[(4S)-4-methyl-1,3-dioxolan-2-yl]ethyl]piperidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid is sourced from PubChem (CID 10348614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).