6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate

C63H93N11O18 — CID 158862566

About 6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate

6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate (PubChem CID 158862566) has the molecular formula C63H93N11O18 and a molecular weight of 1292.50 g/mol. Its IUPAC name is 6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate.

Molecular Properties

• Compound Name: 6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate
• PubChem CID: 158862566
• Molecular Formula: C63H93N11O18
• Molecular Weight: 1292.50 g/mol
• Exact Mass: 1291.67
• IUPAC Name: 6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate
• SMILES: CCOC(=O)[C@@H]1CC[C@H](C(=O)NCC(=O)C(C)C)CN1.CCOC(=O)[C@@H]1CC[C@H](c2nnc(C(C)C)o2)CN1.CCOC(=O)[C@H]1CC[C@H](c2nnc(C(C)C)o2)CN1.CCOC(=O)c1ccc(C(=O)NCC(=O)C(C)C)cn1.CCOC(=O)c1ccc(C(=O)O)cn1
• InChI: InChI=1S/C14H24N2O4.C14H18N2O4.2C13H21N3O3.C9H9NO4/c2*1-4-20-14(19)11-6-5-10(7-15-11)13(18)16-8-12(17)9(2)3;2*1-4-18-13(17)10-6-5-9(7-14-10)12-16-15-11(19-12)8(2)3;1-2-14-9(13)7-4-3-6(5-10-7)8(11)12/h9-11,15H,4-8H2,1-3H3,(H,16,18);5-7,9H,4,8H2,1-3H3,(H,16,18);2*8-10,14H,4-7H2,1-3H3;3-5H,2H2,1H3,(H,11,12)/t10-,11-;;9-,10+;9-,10-;/m0.00./s1
• InChIKey: JAVFOEFBEKFVHN-UJCAIXQVSA-N
• XLogP: 5.61
• TPSA: 400.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1292.50
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate?

The IUPAC name of 6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate (CID 158862566) is 6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate.

What is the SMILES notation for 6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate?

The canonical SMILES for 6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate is CCOC(=O)[C@@H]1CC[C@H](C(=O)NCC(=O)C(C)C)CN1.CCOC(=O)[C@@H]1CC[C@H](c2nnc(C(C)C)o2)CN1.CCOC(=O)[C@H]1CC[C@H](c2nnc(C(C)C)o2)CN1.CCOC(=O)c1ccc(C(=O)NCC(=O)C(C)C)cn1.CCOC(=O)c1ccc(C(=O)O)cn1.

What is the InChIKey of 6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate?

The InChIKey is JAVFOEFBEKFVHN-UJCAIXQVSA-N. The full InChI is InChI=1S/C14H24N2O4.C14H18N2O4.2C13H21N3O3.C9H9NO4/c2*1-4-20-14(19)11-6-5-10(7-15-11)13(18)16-8-12(17)9(2)3;2*1-4-18-13(17)10-6-5-9(7-14-10)12-16-15-11(19-12)8(2)3;1-2-14-9(13)7-4-3-6(5-10-7)8(11)12/h9-11,15H,4-8H2,1-3H3,(H,16,18);5-7,9H,4,8H2,1-3H3,(H,16,18);2*8-10,14H,4-7H2,1-3H3;3-5H,2H2,1H3,(H,11,12)/t10-,11-;;9-,10+;9-,10-;/m0.00./s1.

What are the key properties of 6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate?

6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate has a molecular weight of 1292.50 g/mol, XLogP of 5.61, 23 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxycarbonylpyridine-3-carboxylic acid;ethyl (2S,5S)-5-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-2-carboxylate;ethyl 5-[(3-methyl-2-oxobutyl)carbamoyl]pyridine-2-carboxylate;ethyl (2R,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;ethyl (2S,5S)-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 158862566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).