ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate

C22H33N3O5 — CID 42325171

About ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate

ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate (PubChem CID 42325171) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
• PubChem CID: 42325171
• Molecular Formula: C22H33N3O5
• Molecular Weight: 419.52 g/mol
• Exact Mass: 419.24
• IUPAC Name: ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
• SMILES: CCOC(=O)[C@H]1CCCCN1C(=O)c1cn(C(C)C)cc(C(=O)NCC(C)C)c1=O
• InChI: InChI=1S/C22H33N3O5/c1-6-30-22(29)18-9-7-8-10-25(18)21(28)17-13-24(15(4)5)12-16(19(17)26)20(27)23-11-14(2)3/h12-15,18H,6-11H2,1-5H3,(H,23,27)/t18-/m1/s1
• InChIKey: SMJYKZJTHYFLFV-GOSISDBHSA-N
• XLogP: 2.37
• TPSA: 97.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.52
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate?

The IUPAC name of ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate (CID 42325171) is ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate.

What is the SMILES notation for ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate?

The canonical SMILES for ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate is CCOC(=O)[C@H]1CCCCN1C(=O)c1cn(C(C)C)cc(C(=O)NCC(C)C)c1=O.

What is the InChIKey of ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate?

The InChIKey is SMJYKZJTHYFLFV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-6-30-22(29)18-9-7-8-10-25(18)21(28)17-13-24(15(4)5)12-16(19(17)26)20(27)23-11-14(2)3/h12-15,18H,6-11H2,1-5H3,(H,23,27)/t18-/m1/s1.

What are the key properties of ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate?

ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate has a molecular weight of 419.52 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2R)-1-[5-(2-methylpropylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 42325171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).