2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one

C112H138N16O25 — CID 162151982

IUPAC2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Cc2nc(-c3ccccc3)ccc2[N+](=O)[O-])CC1.CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)OC(=O)n2ccnc2)CC1.Nc1ccc(-c2ccccc2)nc1CC(=O)C1CCN(C2COC2)CC1.O=C(Cc1nc(-c2ccccc2)ccc1[N+](=O)[O-])C1CCN(C2COC2)CC1.O=C(Cc1nc(-c2ccccc2)ccc1[N+](=O)[O-])C1CCNCC1.O=C1COC1
InChIInChI=1S/C23H27N3O5.C21H23N3O4.C21H25N3O2.C18H19N3O3.C15H21N3O5.C11H19NO4.C3H4O2/c1-23(2,3)31-22(28)25-13-11-17(12-14-25)21(27)15-19-20(26(29)30)10-9-18(24-19)16-7-5-4-6-8-16;25-21(16-8-10-23(11-9-16)17-13-28-14-17)12-19-20(24(26)27)7-6-18(22-19)15-4-2-1-3-5-15;22-18-6-7-19(15-4-2-1-3-5-15)23-20(18)12-21(25)16-8-10-24(11-9-16)17-13-26-14-17;22-18(14-8-10-19-11-9-14)12-16-17(21(23)24)7-6-15(20-16)13-4-2-1-3-5-13;1-15(2,3)23-14(21)17-7-4-11(5-8-17)12(19)22-13(20)18-9-6-16-10-18;1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14;4-3-1-5-2-3/h4-10,17H,11-15H2,1-3H3;1-7,16-17H,8-14H2;1-7,16-17H,8-14,22H2;1-7,14,19H,8-12H2;6,9-11H,4-5,7-8H2,1-3H3;8H,4-7H2,1-3H3,(H,13,14);1-2H2
InChIKeyZLIJDMFAOYBZKA-UHFFFAOYSA-N
MW2108.42 g/mol
LogP15.96
Rot. Bonds23

About 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one

2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one (PubChem CID 162151982) has the molecular formula C112H138N16O25 and a molecular weight of 2108.42 g/mol. Its IUPAC name is 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one.

Molecular Properties

Compound Name2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one
PubChem CID162151982
Molecular FormulaC112H138N16O25
Molecular Weight2108.42 g/mol
Exact Mass2107.00
IUPAC Name2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Cc2nc(-c3ccccc3)ccc2[N+](=O)[O-])CC1.CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)OC(=O)n2ccnc2)CC1.Nc1ccc(-c2ccccc2)nc1CC(=O)C1CCN(C2COC2)CC1.O=C(Cc1nc(-c2ccccc2)ccc1[N+](=O)[O-])C1CCN(C2COC2)CC1.O=C(Cc1nc(-c2ccccc2)ccc1[N+](=O)[O-])C1CCNCC1.O=C1COC1
InChIInChI=1S/C23H27N3O5.C21H23N3O4.C21H25N3O2.C18H19N3O3.C15H21N3O5.C11H19NO4.C3H4O2/c1-23(2,3)31-22(28)25-13-11-17(12-14-25)21(27)15-19-20(26(29)30)10-9-18(24-19)16-7-5-4-6-8-16;25-21(16-8-10-23(11-9-16)17-13-28-14-17)12-19-20(24(26)27)7-6-18(22-19)15-4-2-1-3-5-15;22-18-6-7-19(15-4-2-1-3-5-15)23-20(18)12-21(25)16-8-10-24(11-9-16)17-13-26-14-17;22-18(14-8-10-19-11-9-14)12-16-17(21(23)24)7-6-15(20-16)13-4-2-1-3-5-13;1-15(2,3)23-14(21)17-7-4-11(5-8-17)12(19)22-13(20)18-9-6-16-10-18;1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14;4-3-1-5-2-3/h4-10,17H,11-15H2,1-3H3;1-7,16-17H,8-14H2;1-7,16-17H,8-14,22H2;1-7,14,19H,8-12H2;6,9-11H,4-5,7-8H2,1-3H3;8H,4-7H2,1-3H3,(H,13,14);1-2H2
InChIKeyZLIJDMFAOYBZKA-UHFFFAOYSA-N
XLogP15.96
TPSA525.66 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002108.42
LogP ≤ 515.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one?
The IUPAC name of 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one (CID 162151982) is 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one.
What is the SMILES notation for 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one?
The canonical SMILES for 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one is CC(C)(C)OC(=O)N1CCC(C(=O)Cc2nc(-c3ccccc3)ccc2[N+](=O)[O-])CC1.CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)OC(=O)n2ccnc2)CC1.Nc1ccc(-c2ccccc2)nc1CC(=O)C1CCN(C2COC2)CC1.O=C(Cc1nc(-c2ccccc2)ccc1[N+](=O)[O-])C1CCN(C2COC2)CC1.O=C(Cc1nc(-c2ccccc2)ccc1[N+](=O)[O-])C1CCNCC1.O=C1COC1.
What is the InChIKey of 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one?
The InChIKey is ZLIJDMFAOYBZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5.C21H23N3O4.C21H25N3O2.C18H19N3O3.C15H21N3O5.C11H19NO4.C3H4O2/c1-23(2,3)31-22(28)25-13-11-17(12-14-25)21(27)15-19-20(26(29)30)10-9-18(24-19)16-7-5-4-6-8-16;25-21(16-8-10-23(11-9-16)17-13-28-14-17)12-19-20(24(26)27)7-6-18(22-19)15-4-2-1-3-5-15;22-18-6-7-19(15-4-2-1-3-5-15)23-20(18)12-21(25)16-8-10-24(11-9-16)17-13-26-14-17;22-18(14-8-10-19-11-9-14)12-16-17(21(23)24)7-6-15(20-16)13-4-2-1-3-5-13;1-15(2,3)23-14(21)17-7-4-11(5-8-17)12(19)22-13(20)18-9-6-16-10-18;1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14;4-3-1-5-2-3/h4-10,17H,11-15H2,1-3H3;1-7,16-17H,8-14H2;1-7,16-17H,8-14,22H2;1-7,14,19H,8-12H2;6,9-11H,4-5,7-8H2,1-3H3;8H,4-7H2,1-3H3,(H,13,14);1-2H2.
What are the key properties of 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one?
2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one has a molecular weight of 2108.42 g/mol, XLogP of 15.96, 23 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-O-tert-butyl 4-O-(imidazole-1-carbonyl) piperidine-1,4-dicarboxylate;tert-butyl 4-[2-(3-nitro-6-phenyl-2-pyridinyl)acetyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-(3-nitro-6-phenyl-2-pyridinyl)-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-(3-nitro-6-phenyl-2-pyridinyl)-1-piperidin-4-ylethanone;oxetan-3-one is sourced from PubChem (CID 162151982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).