benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane

C93H122ClN13O14 — CID 159072462

About benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane

benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane (PubChem CID 159072462) has the molecular formula C93H122ClN13O14 and a molecular weight of 1681.53 g/mol. Its IUPAC name is benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane.

Molecular Properties

• Compound Name: benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane
• PubChem CID: 159072462
• Molecular Formula: C93H122ClN13O14
• Molecular Weight: 1681.53 g/mol
• Exact Mass: 1679.89
• IUPAC Name: benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane
• SMILES: C1CCOC1.CC1CC(=O)C(C(=O)C2CCC2)CN1C(=O)OCc1ccccc1.CC1CC(=O)C=CN1C(=O)OCc1ccccc1.CC1Cc2[nH]nc(C3CCC3)c2CN1.CC1Cc2[nH]nc(C3CCC3)c2CN1C(=O)Nc1cccc(Cl)c1.CC1Cc2[nH]nc(C3CCC3)c2CN1C(=O)OCc1ccccc1.CO.CO.COc1ccncc1
• InChI: InChI=1S/C19H23N3O2.C19H23NO4.C18H21ClN4O.C14H15NO3.C11H17N3.C6H7NO.C4H8O.2CH4O/c1-13-10-17-16(18(21-20-17)15-8-5-9-15)11-22(13)19(23)24-12-14-6-3-2-4-7-14;1-13-10-17(21)16(18(22)15-8-5-9-15)11-20(13)19(23)24-12-14-6-3-2-4-7-14;1-11-8-16-15(17(22-21-16)12-4-2-5-12)10-23(11)18(24)20-14-7-3-6-13(19)9-14;1-11-9-13(16)7-8-15(11)14(17)18-10-12-5-3-2-4-6-12;1-7-5-10-9(6-12-7)11(14-13-10)8-3-2-4-8;1-8-6-2-4-7-5-3-6;1-2-4-5-3-1;2*1-2/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,20,21);2-4,6-7,13,15-16H,5,8-12H2,1H3;3,6-7,9,11-12H,2,4-5,8,10H2,1H3,(H,20,24)(H,21,22);2-8,11H,9-10H2,1H3;7-8,12H,2-6H2,1H3,(H,13,14);2-5H,1H3;1-4H2;2*2H,1H3
• InChIKey: JZVKCRVPMZNYLD-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 342.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1681.53
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

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 benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane?

The IUPAC name of benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane (CID 159072462) is benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane.

What is the SMILES notation for benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane?

The canonical SMILES for benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane is C1CCOC1.CC1CC(=O)C(C(=O)C2CCC2)CN1C(=O)OCc1ccccc1.CC1CC(=O)C=CN1C(=O)OCc1ccccc1.CC1Cc2[nH]nc(C3CCC3)c2CN1.CC1Cc2[nH]nc(C3CCC3)c2CN1C(=O)Nc1cccc(Cl)c1.CC1Cc2[nH]nc(C3CCC3)c2CN1C(=O)OCc1ccccc1.CO.CO.COc1ccncc1.

What is the InChIKey of benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane?

The InChIKey is JZVKCRVPMZNYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.C19H23NO4.C18H21ClN4O.C14H15NO3.C11H17N3.C6H7NO.C4H8O.2CH4O/c1-13-10-17-16(18(21-20-17)15-8-5-9-15)11-22(13)19(23)24-12-14-6-3-2-4-7-14;1-13-10-17(21)16(18(22)15-8-5-9-15)11-20(13)19(23)24-12-14-6-3-2-4-7-14;1-11-8-16-15(17(22-21-16)12-4-2-5-12)10-23(11)18(24)20-14-7-3-6-13(19)9-14;1-11-9-13(16)7-8-15(11)14(17)18-10-12-5-3-2-4-6-12;1-7-5-10-9(6-12-7)11(14-13-10)8-3-2-4-8;1-8-6-2-4-7-5-3-6;1-2-4-5-3-1;2*1-2/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,20,21);2-4,6-7,13,15-16H,5,8-12H2,1H3;3,6-7,9,11-12H,2,4-5,8,10H2,1H3,(H,20,24)(H,21,22);2-8,11H,9-10H2,1H3;7-8,12H,2-6H2,1H3,(H,13,14);2-5H,1H3;1-4H2;2*2H,1H3.

What are the key properties of benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane?

benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane has a molecular weight of 1681.53 g/mol, XLogP of 16.36, 13 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 5-(cyclobutanecarbonyl)-2-methyl-4-oxopiperidine-1-carboxylate;benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;benzyl 2-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate;N-(3-chlorophenyl)-3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;methanol;4-methoxypyridine;oxolane is sourced from PubChem (CID 159072462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).