(4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate

C21H24ClFN4O5 — CID 69137052

About (4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate

(4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate (PubChem CID 69137052) has the molecular formula C21H24ClFN4O5 and a molecular weight of 466.90 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate.

Molecular Properties

• Compound Name: (4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate
• PubChem CID: 69137052
• Molecular Formula: C21H24ClFN4O5
• Molecular Weight: 466.90 g/mol
• Exact Mass: 466.14
• IUPAC Name: (4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate
• SMILES: CO[C@H]1CN(CC(=O)OCc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)[nH]c1=O
• InChI: InChI=1S/C21H24ClFN4O5/c1-31-17-9-27(10-18(28)32-11-12-2-4-13(23)5-3-12)7-6-16(17)25-20(29)14-8-15(22)19(24)26-21(14)30/h2-5,8,16-17H,6-7,9-11H2,1H3,(H,25,29)(H3,24,26,30)/t16?,17-/m0/s1
• InChIKey: RILWLAKNUUHGAB-DJNXLDHESA-N
• XLogP: 1.31
• TPSA: 126.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.90
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate?

The IUPAC name of (4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate (CID 69137052) is (4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate.

What is the SMILES notation for (4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate?

The canonical SMILES for (4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate is CO[C@H]1CN(CC(=O)OCc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)[nH]c1=O.

What is the InChIKey of (4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate?

The InChIKey is RILWLAKNUUHGAB-DJNXLDHESA-N. The full InChI is InChI=1S/C21H24ClFN4O5/c1-31-17-9-27(10-18(28)32-11-12-2-4-13(23)5-3-12)7-6-16(17)25-20(29)14-8-15(22)19(24)26-21(14)30/h2-5,8,16-17H,6-7,9-11H2,1H3,(H,25,29)(H3,24,26,30)/t16?,17-/m0/s1.

What are the key properties of (4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate?

(4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate has a molecular weight of 466.90 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluorophenyl)methyl 2-[(3S,4R)-4-[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]-3-methoxypiperidin-1-yl]acetate is sourced from PubChem (CID 69137052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).