acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate

C99H173N11O30 — CID 160933114

About acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate

acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate (PubChem CID 160933114) has the molecular formula C99H173N11O30 and a molecular weight of 1997.52 g/mol. Its IUPAC name is acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate.

Molecular Properties

• Compound Name: acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate
• PubChem CID: 160933114
• Molecular Formula: C99H173N11O30
• Molecular Weight: 1997.52 g/mol
• Exact Mass: 1996.23
• IUPAC Name: acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate
• SMILES: CC(=O)OC(C)=O.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.CCOC(=O)[C@@H]1CCCN(C(C)=O)C1.CCOC(=O)[C@@H]1CCCNC1.CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1.CCOC(=O)[C@H]1CCCNC1.CNC(=O)[C@@H]1CCCN(C(C)=O)C1.CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1
• InChI: InChI=1S/C19H32N2O5.C18H31N3O4.C13H23NO4.C10H17NO3.C10H18O5.C9H16N2O2.2C8H15NO2.C4H6O3/c1-5-25-17(23)15-9-7-10-20(13-15)16(22)14-8-6-11-21(12-14)18(24)26-19(2,3)4;1-18(2,3)25-17(24)21-10-6-8-14(12-21)16(23)20-9-5-7-13(11-20)15(22)19-4;1-5-17-11(15)10-7-6-8-14(9-10)12(16)18-13(2,3)4;1-3-14-10(13)9-5-4-6-11(7-9)8(2)12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-7(12)11-5-3-4-8(6-11)9(13)10-2;2*1-2-11-8(10)7-4-3-5-9-6-7;1-3(5)7-4(2)6/h14-15H,5-13H2,1-4H3;13-14H,5-12H2,1-4H3,(H,19,22);10H,5-9H2,1-4H3;9H,3-7H2,1-2H3;1-6H3;8H,3-6H2,1-2H3,(H,10,13);2*7,9H,2-6H2,1H3;1-2H3/t14-,15+;13-,14+;10-;9-;;8-;2*7-;/m1011.110./s1
• InChIKey: STNBXQKELVIKJE-GCKZTSCTSA-N
• XLogP: 11.12
• TPSA: 488.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1997.52
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate?

The IUPAC name of acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate (CID 160933114) is acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate.

What is the SMILES notation for acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate?

The canonical SMILES for acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate is CC(=O)OC(C)=O.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.CCOC(=O)[C@@H]1CCCN(C(C)=O)C1.CCOC(=O)[C@@H]1CCCNC1.CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1.CCOC(=O)[C@H]1CCCNC1.CNC(=O)[C@@H]1CCCN(C(C)=O)C1.CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1.

What is the InChIKey of acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate?

The InChIKey is STNBXQKELVIKJE-GCKZTSCTSA-N. The full InChI is InChI=1S/C19H32N2O5.C18H31N3O4.C13H23NO4.C10H17NO3.C10H18O5.C9H16N2O2.2C8H15NO2.C4H6O3/c1-5-25-17(23)15-9-7-10-20(13-15)16(22)14-8-6-11-21(12-14)18(24)26-19(2,3)4;1-18(2,3)25-17(24)21-10-6-8-14(12-21)16(23)20-9-5-7-13(11-20)15(22)19-4;1-5-17-11(15)10-7-6-8-14(9-10)12(16)18-13(2,3)4;1-3-14-10(13)9-5-4-6-11(7-9)8(2)12;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-7(12)11-5-3-4-8(6-11)9(13)10-2;2*1-2-11-8(10)7-4-3-5-9-6-7;1-3(5)7-4(2)6/h14-15H,5-13H2,1-4H3;13-14H,5-12H2,1-4H3,(H,19,22);10H,5-9H2,1-4H3;9H,3-7H2,1-2H3;1-6H3;8H,3-6H2,1-2H3,(H,10,13);2*7,9H,2-6H2,1H3;1-2H3/t14-,15+;13-,14+;10-;9-;;8-;2*7-;/m1011.110./s1.

What are the key properties of acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate?

acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate has a molecular weight of 1997.52 g/mol, XLogP of 11.12, 14 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl acetate;(3R)-1-acetyl-N-methylpiperidine-3-carboxamide;1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;tert-butyl (3R)-3-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;ethyl (3R)-1-acetylpiperidine-3-carboxylate;ethyl (3S)-1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate;ethyl (3S)-piperidine-3-carboxylate;ethyl (3R)-piperidine-3-carboxylate is sourced from PubChem (CID 160933114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).