deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid

C41H51FN6O7 — CID 165081591

About deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid

deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid (PubChem CID 165081591) has the molecular formula C41H51FN6O7 and a molecular weight of 759.90 g/mol. Its IUPAC name is deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid.

Molecular Properties

• Compound Name: deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid
• PubChem CID: 165081591
• Molecular Formula: C41H51FN6O7
• Molecular Weight: 759.90 g/mol
• Exact Mass: 759.39
• IUPAC Name: deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid
• SMILES: CC1CCC(c2ccc(O)cc2)NC1.Cc1cncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(O)cc2)c1.Cc1cncc(NC(=O)C(=O)O)c1.[2H]CF
• InChI: InChI=1S/C20H23N3O3.C12H17NO.C8H8N2O3.CH3F/c1-13-3-8-18(15-4-6-17(24)7-5-15)23(12-13)20(26)19(25)22-16-9-14(2)10-21-11-16;1-9-2-7-12(13-8-9)10-3-5-11(14)6-4-10;1-5-2-6(4-9-3-5)10-7(11)8(12)13;1-2/h4-7,9-11,13,18,24H,3,8,12H2,1-2H3,(H,22,25);3-6,9,12-14H,2,7-8H2,1H3;2-4H,1H3,(H,10,11)(H,12,13);1H3/t13-,18+;;;/m1.../s1/i;;;1D
• InChIKey: VFHPPOQBRCBWRE-VZGNLUAOSA-N
• XLogP: 6.49
• TPSA: 194.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	759.90
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid?

The IUPAC name of deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid (CID 165081591) is deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid.

What is the SMILES notation for deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid?

The canonical SMILES for deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid is CC1CCC(c2ccc(O)cc2)NC1.Cc1cncc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(O)cc2)c1.Cc1cncc(NC(=O)C(=O)O)c1.[2H]CF.

What is the InChIKey of deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid?

The InChIKey is VFHPPOQBRCBWRE-VZGNLUAOSA-N. The full InChI is InChI=1S/C20H23N3O3.C12H17NO.C8H8N2O3.CH3F/c1-13-3-8-18(15-4-6-17(24)7-5-15)23(12-13)20(26)19(25)22-16-9-14(2)10-21-11-16;1-9-2-7-12(13-8-9)10-3-5-11(14)6-4-10;1-5-2-6(4-9-3-5)10-7(11)8(12)13;1-2/h4-7,9-11,13,18,24H,3,8,12H2,1-2H3,(H,22,25);3-6,9,12-14H,2,7-8H2,1H3;2-4H,1H3,(H,10,11)(H,12,13);1H3/t13-,18+;;;/m1.../s1/i;;;1D.

What are the key properties of deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid?

deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid has a molecular weight of 759.90 g/mol, XLogP of 6.49, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for deuterio(fluoro)methane;2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-N-(5-methyl-3-pyridinyl)-2-oxoacetamide;4-(5-methylpiperidin-2-yl)phenol;2-[(5-methyl-3-pyridinyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 165081591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).