benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate

C168H240ClN31O28S2 — CID 157118747

About benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate

benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate (PubChem CID 157118747) has the molecular formula C168H240ClN31O28S2 and a molecular weight of 3241.54 g/mol. Its IUPAC name is benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate
• PubChem CID: 157118747
• Molecular Formula: C168H240ClN31O28S2
• Molecular Weight: 3241.54 g/mol
• Exact Mass: 3238.74
• IUPAC Name: benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate
• SMILES: CC(C)(C)OC(=O)CN1CCN(C2CN(C(=O)OCc3ccccc3)C2)CC1.CC(C)(C)OC(=O)CN1CCN(C2CNC2)CC1.CC(C)(C)OC(=O)CN1CCNCC1.CO.COC(=O)c1ccc(N2CC(N3CCN(CC(=O)N[C@H](C(=O)N4C[C@H](O)CC4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)C2)nc1.COC(=O)c1ccc(N2CC(N3CCN(CC(=O)OC(C)(C)C)CC3)C2)nc1.O=C1CN(C(=O)OCc2ccccc2)C1.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CC(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)CC6C(=O)N[C@@H](C)c6ccc(-c7scnc7C)cc6)C(C)(C)C)CC5)C4)nc3)C2(C)C)cc1Cl
• InChI: InChI=1S/C53H67ClN10O6S.C39H52N8O6S.C21H31N3O4.C20H30N4O4.C13H25N3O2.C11H11NO3.C10H20N2O2.CH4O/c1-31(33-11-13-34(14-12-33)44-32(2)57-30-71-44)58-47(68)41-23-37(65)28-64(41)48(69)45(51(3,4)5)59-43(66)29-61-19-21-62(22-20-61)36-26-63(27-36)42-18-15-35(25-56-42)46(67)60-49-52(6,7)50(53(49,8)9)70-38-16-17-40(55-10)39(54)24-38;1-24(26-7-9-27(10-8-26)34-25(2)41-23-54-34)42-36(50)31-17-30(48)21-47(31)37(51)35(39(3,4)5)43-33(49)22-44-13-15-45(16-14-44)29-19-46(20-29)32-12-11-28(18-40-32)38(52)53-6;1-21(2,3)28-19(25)15-22-9-11-23(12-10-22)18-13-24(14-18)20(26)27-16-17-7-5-4-6-8-17;1-20(2,3)28-18(25)14-22-7-9-23(10-8-22)16-12-24(13-16)17-6-5-15(11-21-17)19(26)27-4;1-13(2,3)18-12(17)10-15-4-6-16(7-5-15)11-8-14-9-11;13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9;1-10(2,3)14-9(13)8-12-6-4-11-5-7-12;1-2/h11-18,24-25,30-31,36-37,41,45,49-50,65H,19-23,26-29H2,1-9H3,(H,58,68)(H,59,66)(H,60,67);7-12,18,23-24,29-31,35,48H,13-17,19-22H2,1-6H3,(H,42,50)(H,43,49);4-8,18H,9-16H2,1-3H3;5-6,11,16H,7-10,12-14H2,1-4H3;11,14H,4-10H2,1-3H3;1-5H,6-8H2;11H,4-8H2,1-3H3;2H,1H3/t31-,37+,41?,45+,49?,50?;24-,30+,31?,35+;;;;;;/m00....../s1
• InChIKey: AHSCZSAMAIXZKS-KMVVZIEUSA-N
• XLogP: 12.93
• TPSA: 628.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 51
• Rotatable Bonds: 42
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3241.54
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate?

The IUPAC name of benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate (CID 157118747) is benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate.

What is the SMILES notation for benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate?

The canonical SMILES for benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate is CC(C)(C)OC(=O)CN1CCN(C2CN(C(=O)OCc3ccccc3)C2)CC1.CC(C)(C)OC(=O)CN1CCN(C2CNC2)CC1.CC(C)(C)OC(=O)CN1CCNCC1.CO.COC(=O)c1ccc(N2CC(N3CCN(CC(=O)N[C@H](C(=O)N4C[C@H](O)CC4C(=O)N[C@@H](C)c4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)C2)nc1.COC(=O)c1ccc(N2CC(N3CCN(CC(=O)OC(C)(C)C)CC3)C2)nc1.O=C1CN(C(=O)OCc2ccccc2)C1.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CC(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)CC6C(=O)N[C@@H](C)c6ccc(-c7scnc7C)cc6)C(C)(C)C)CC5)C4)nc3)C2(C)C)cc1Cl.

What is the InChIKey of benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate?

The InChIKey is AHSCZSAMAIXZKS-KMVVZIEUSA-N. The full InChI is InChI=1S/C53H67ClN10O6S.C39H52N8O6S.C21H31N3O4.C20H30N4O4.C13H25N3O2.C11H11NO3.C10H20N2O2.CH4O/c1-31(33-11-13-34(14-12-33)44-32(2)57-30-71-44)58-47(68)41-23-37(65)28-64(41)48(69)45(51(3,4)5)59-43(66)29-61-19-21-62(22-20-61)36-26-63(27-36)42-18-15-35(25-56-42)46(67)60-49-52(6,7)50(53(49,8)9)70-38-16-17-40(55-10)39(54)24-38;1-24(26-7-9-27(10-8-26)34-25(2)41-23-54-34)42-36(50)31-17-30(48)21-47(31)37(51)35(39(3,4)5)43-33(49)22-44-13-15-45(16-14-44)29-19-46(20-29)32-12-11-28(18-40-32)38(52)53-6;1-21(2,3)28-19(25)15-22-9-11-23(12-10-22)18-13-24(14-18)20(26)27-16-17-7-5-4-6-8-17;1-20(2,3)28-18(25)14-22-7-9-23(10-8-22)16-12-24(13-16)17-6-5-15(11-21-17)19(26)27-4;1-13(2,3)18-12(17)10-15-4-6-16(7-5-15)11-8-14-9-11;13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9;1-10(2,3)14-9(13)8-12-6-4-11-5-7-12;1-2/h11-18,24-25,30-31,36-37,41,45,49-50,65H,19-23,26-29H2,1-9H3,(H,58,68)(H,59,66)(H,60,67);7-12,18,23-24,29-31,35,48H,13-17,19-22H2,1-6H3,(H,42,50)(H,43,49);4-8,18H,9-16H2,1-3H3;5-6,11,16H,7-10,12-14H2,1-4H3;11,14H,4-10H2,1-3H3;1-5H,6-8H2;11H,4-8H2,1-3H3;2H,1H3/t31-,37+,41?,45+,49?,50?;24-,30+,31?,35+;;;;;;/m00....../s1.

What are the key properties of benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate?

benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate has a molecular weight of 3241.54 g/mol, XLogP of 12.93, 42 rotatable bonds, 10 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidine-1-carboxylate;benzyl 3-oxoazetidine-1-carboxylate;tert-butyl 2-[4-(azetidin-3-yl)piperazin-1-yl]acetate;tert-butyl 2-piperazin-1-ylacetate;N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxamide;methanol;methyl 6-[3-[4-[2-[[(2S)-1-[(4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate;methyl 6-[3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazin-1-yl]azetidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 157118747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).