tert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate

C207H264N18O26 — CID 158482390

IUPACtert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCCO[C@@H]1CN(c2cccc(-c3cc(C)ccc3OCc3cc4c(c(OC)c3)CNCC4)n2)CC[C@@H]1C(=O)OC(C)(C)C.CCO[C@@H]1CN(c2cccc(-c3cc(C)ccc3OCc3ccc4c(c3C)CCNCC4)n2)CC[C@@H]1C(=O)OC(C)(C)C.CCO[C@H]1CN(c2cccc(-c3cc(C)ccc3OCc3cc4c(c(OC)c3)CNCC4)n2)CC[C@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2cccc(-c3cccc(C)c3OCc3cc(C)c4c(c3)CNC4)n2)CC[C@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCNCC4)n2)CC[C@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CNC4)n2)CC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C36H47N3O4.2C35H45N3O5.C35H45N3O4.2C33H41N3O4/c1-7-41-33-22-39(20-17-29(33)35(40)43-36(4,5)6)34-10-8-9-31(38-34)30-21-24(2)11-14-32(30)42-23-27-13-12-26-15-18-37-19-16-28(26)25(27)3;2*1-7-41-32-21-38(16-14-26(32)34(39)43-35(3,4)5)33-10-8-9-29(37-33)27-17-23(2)11-12-30(27)42-22-24-18-25-13-15-36-20-28(25)31(19-24)40-6;1-23-9-7-10-28(33(23)41-22-26-14-13-25-15-18-36-19-16-27(25)24(26)2)30-11-8-12-32(37-30)38-20-17-29(31(21-38)40-6)34(39)42-35(3,4)5;1-21-9-7-10-25(31(21)39-20-23-15-22(2)27-18-34-17-24(27)16-23)28-11-8-12-30(35-28)36-14-13-26(29(19-36)38-6)32(37)40-33(3,4)5;1-21-9-7-10-25(31(21)39-20-24-14-13-23-17-34-18-27(23)22(24)2)28-11-8-12-30(35-28)36-16-15-26(29(19-36)38-6)32(37)40-33(3,4)5/h8-14,21,29,33,37H,7,15-20,22-23H2,1-6H3;2*8-12,17-19,26,32,36H,7,13-16,20-22H2,1-6H3;7-14,29,31,36H,15-22H2,1-6H3;7-12,15-16,26,29,34H,13-14,17-20H2,1-6H3;7-14,26,29,34H,15-20H2,1-6H3/t29-,33+;2*26-,32+;29-,31+;2*26-,29+/m010111/s1
InChIKeyHHRDZCQVRVMCPQ-XJFYXMGNSA-N
MW3420.49 g/mol
LogP35.21
Rot. Bonds47

About tert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate

tert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 158482390) has the molecular formula C207H264N18O26 and a molecular weight of 3420.49 g/mol. Its IUPAC name is tert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate
PubChem CID158482390
Molecular FormulaC207H264N18O26
Molecular Weight3420.49 g/mol
Exact Mass3417.99
IUPAC Nametert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCCO[C@@H]1CN(c2cccc(-c3cc(C)ccc3OCc3cc4c(c(OC)c3)CNCC4)n2)CC[C@@H]1C(=O)OC(C)(C)C.CCO[C@@H]1CN(c2cccc(-c3cc(C)ccc3OCc3ccc4c(c3C)CCNCC4)n2)CC[C@@H]1C(=O)OC(C)(C)C.CCO[C@H]1CN(c2cccc(-c3cc(C)ccc3OCc3cc4c(c(OC)c3)CNCC4)n2)CC[C@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2cccc(-c3cccc(C)c3OCc3cc(C)c4c(c3)CNC4)n2)CC[C@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCNCC4)n2)CC[C@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CNC4)n2)CC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C36H47N3O4.2C35H45N3O5.C35H45N3O4.2C33H41N3O4/c1-7-41-33-22-39(20-17-29(33)35(40)43-36(4,5)6)34-10-8-9-31(38-34)30-21-24(2)11-14-32(30)42-23-27-13-12-26-15-18-37-19-16-28(26)25(27)3;2*1-7-41-32-21-38(16-14-26(32)34(39)43-35(3,4)5)33-10-8-9-29(37-33)27-17-23(2)11-12-30(27)42-22-24-18-25-13-15-36-20-28(25)31(19-24)40-6;1-23-9-7-10-28(33(23)41-22-26-14-13-25-15-18-36-19-16-27(25)24(26)2)30-11-8-12-32(37-30)38-20-17-29(31(21-38)40-6)34(39)42-35(3,4)5;1-21-9-7-10-25(31(21)39-20-23-15-22(2)27-18-34-17-24(27)16-23)28-11-8-12-30(35-28)36-14-13-26(29(19-36)38-6)32(37)40-33(3,4)5;1-21-9-7-10-25(31(21)39-20-24-14-13-23-17-34-18-27(23)22(24)2)28-11-8-12-30(35-28)36-16-15-26(29(19-36)38-6)32(37)40-33(3,4)5/h8-14,21,29,33,37H,7,15-20,22-23H2,1-6H3;2*8-12,17-19,26,32,36H,7,13-16,20-22H2,1-6H3;7-14,29,31,36H,15-22H2,1-6H3;7-12,15-16,26,29,34H,13-14,17-20H2,1-6H3;7-14,26,29,34H,15-20H2,1-6H3/t29-,33+;2*26-,32+;29-,31+;2*26-,29+/m010111/s1
InChIKeyHHRDZCQVRVMCPQ-XJFYXMGNSA-N
XLogP35.21
TPSA455.98 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds47
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003420.49
LogP ≤ 535.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze tert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate (CID 158482390) is tert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate is CCO[C@@H]1CN(c2cccc(-c3cc(C)ccc3OCc3cc4c(c(OC)c3)CNCC4)n2)CC[C@@H]1C(=O)OC(C)(C)C.CCO[C@@H]1CN(c2cccc(-c3cc(C)ccc3OCc3ccc4c(c3C)CCNCC4)n2)CC[C@@H]1C(=O)OC(C)(C)C.CCO[C@H]1CN(c2cccc(-c3cc(C)ccc3OCc3cc4c(c(OC)c3)CNCC4)n2)CC[C@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2cccc(-c3cccc(C)c3OCc3cc(C)c4c(c3)CNC4)n2)CC[C@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CCNCC4)n2)CC[C@H]1C(=O)OC(C)(C)C.CO[C@H]1CN(c2cccc(-c3cccc(C)c3OCc3ccc4c(c3C)CNC4)n2)CC[C@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is HHRDZCQVRVMCPQ-XJFYXMGNSA-N. The full InChI is InChI=1S/C36H47N3O4.2C35H45N3O5.C35H45N3O4.2C33H41N3O4/c1-7-41-33-22-39(20-17-29(33)35(40)43-36(4,5)6)34-10-8-9-31(38-34)30-21-24(2)11-14-32(30)42-23-27-13-12-26-15-18-37-19-16-28(26)25(27)3;2*1-7-41-32-21-38(16-14-26(32)34(39)43-35(3,4)5)33-10-8-9-29(37-33)27-17-23(2)11-12-30(27)42-22-24-18-25-13-15-36-20-28(25)31(19-24)40-6;1-23-9-7-10-28(33(23)41-22-26-14-13-25-15-18-36-19-16-27(25)24(26)2)30-11-8-12-32(37-30)38-20-17-29(31(21-38)40-6)34(39)42-35(3,4)5;1-21-9-7-10-25(31(21)39-20-23-15-22(2)27-18-34-17-24(27)16-23)28-11-8-12-30(35-28)36-14-13-26(29(19-36)38-6)32(37)40-33(3,4)5;1-21-9-7-10-25(31(21)39-20-24-14-13-23-17-34-18-27(23)22(24)2)28-11-8-12-30(35-28)36-16-15-26(29(19-36)38-6)32(37)40-33(3,4)5/h8-14,21,29,33,37H,7,15-20,22-23H2,1-6H3;2*8-12,17-19,26,32,36H,7,13-16,20-22H2,1-6H3;7-14,29,31,36H,15-22H2,1-6H3;7-12,15-16,26,29,34H,13-14,17-20H2,1-6H3;7-14,26,29,34H,15-20H2,1-6H3/t29-,33+;2*26-,32+;29-,31+;2*26-,29+/m010111/s1.
What are the key properties of tert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate?
tert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 3420.49 g/mol, XLogP of 35.21, 47 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-ethoxy-1-[6-[2-[(8-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3S,4S)-3-ethoxy-1-[6-[5-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(4-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(7-methyl-2,3-dihydro-1H-isoindol-5-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate;tert-butyl (3R,4R)-3-methoxy-1-[6-[3-methyl-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 158482390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).