4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]

C109H144N6O16 — CID 159217141

IUPAC4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]
SMILESCOCCCC(=O)N(C)c1ccccc1CO[C@H]1CNCC[C@@H]1c1ccc(OCCCOCc2ccccc2OC)cc1.COCCCN1CC(C)(C)c2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21.COCCCN1CC2(CC2)c2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21
InChIInChI=1S/C37H48N2O5.C37H50N2O5.C35H46N2O6/c1-40-20-5-19-39-27-37(16-17-37)33-14-9-28(23-34(33)39)25-44-36-24-38-18-15-32(36)29-10-12-31(13-11-29)43-22-6-21-42-26-30-7-3-4-8-35(30)41-2;1-37(2)27-39(19-7-20-40-3)34-23-28(11-16-33(34)37)25-44-36-24-38-18-17-32(36)29-12-14-31(15-13-29)43-22-8-21-42-26-30-9-5-6-10-35(30)41-4;1-37(35(38)14-8-21-39-2)32-12-6-4-10-28(32)26-43-34-24-36-20-19-31(34)27-15-17-30(18-16-27)42-23-9-22-41-25-29-11-5-7-13-33(29)40-3/h3-4,7-14,23,32,36,38H,5-6,15-22,24-27H2,1-2H3;5-6,9-16,23,32,36,38H,7-8,17-22,24-27H2,1-4H3;4-7,10-13,15-18,31,34,36H,8-9,14,19-26H2,1-3H3/t2*32-,36+;31-,34+/m111/s1
InChIKeyKRFGVTLVQSLCSM-DYUZCVBWSA-N
MW1794.38 g/mol
LogP18.44
Rot. Bonds49

About 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]

4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane] (PubChem CID 159217141) has the molecular formula C109H144N6O16 and a molecular weight of 1794.38 g/mol. Its IUPAC name is 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane].

Molecular Properties

Compound Name4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]
PubChem CID159217141
Molecular FormulaC109H144N6O16
Molecular Weight1794.38 g/mol
Exact Mass1793.06
IUPAC Name4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]
SMILESCOCCCC(=O)N(C)c1ccccc1CO[C@H]1CNCC[C@@H]1c1ccc(OCCCOCc2ccccc2OC)cc1.COCCCN1CC(C)(C)c2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21.COCCCN1CC2(CC2)c2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21
InChIInChI=1S/C37H48N2O5.C37H50N2O5.C35H46N2O6/c1-40-20-5-19-39-27-37(16-17-37)33-14-9-28(23-34(33)39)25-44-36-24-38-18-15-32(36)29-10-12-31(13-11-29)43-22-6-21-42-26-30-7-3-4-8-35(30)41-2;1-37(2)27-39(19-7-20-40-3)34-23-28(11-16-33(34)37)25-44-36-24-38-18-17-32(36)29-12-14-31(15-13-29)43-22-8-21-42-26-30-9-5-6-10-35(30)41-4;1-37(35(38)14-8-21-39-2)32-12-6-4-10-28(32)26-43-34-24-36-20-19-31(34)27-15-17-30(18-16-27)42-23-9-22-41-25-29-11-5-7-13-33(29)40-3/h3-4,7-14,23,32,36,38H,5-6,15-22,24-27H2,1-2H3;5-6,9-16,23,32,36,38H,7-8,17-22,24-27H2,1-4H3;4-7,10-13,15-18,31,34,36H,8-9,14,19-26H2,1-3H3/t2*32-,36+;31-,34+/m111/s1
InChIKeyKRFGVTLVQSLCSM-DYUZCVBWSA-N
XLogP18.44
TPSA201.33 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds49
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001794.38
LogP ≤ 518.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane] with MolForge

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Related Compounds

6-[[(3R,4R)-4-[4-(2,2-difluoro-3-phenoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]-4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazine;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-1,2-dihydroindole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethyl-2H-indole;7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1,3,3-trimethylindol-2-one
CID 157186016
(3R,4R)-N-[3-[7-(4-[4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl]-piperidin-3-yloxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-propyl]-acetamide
CID 9873775
N-[3-[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydro-2H-quinolin-1-yl]propyl]acetamide
CID 21253753
[(3S,4R,5R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-5-[[1-(3-methoxypropyl)-3,3-dimethyl-2H-indol-6-yl]methoxy]piperidin-3-yl] (2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoate
CID 24861826
7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,4-dihydroquinolin-2-one
CID 59457114
N-[2-[6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,3-dimethyl-2H-indol-1-yl]ethyl]acetamide
CID 59457124
6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole
CID 59457131
N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-(3-methoxypropyl)acetamide
CID 59457183
4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-5-methylphenyl]-N-methylbutanamide
CID 59457265
6'-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1'-(3-methoxypropyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 59457285
6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]
CID 59457292
N-[[(3S)-1-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]pyrrolidin-3-yl]methyl]acetamide
CID 59457294

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]?
The IUPAC name of 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane] (CID 159217141) is 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane].
What is the SMILES notation for 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]?
The canonical SMILES for 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane] is COCCCC(=O)N(C)c1ccccc1CO[C@H]1CNCC[C@@H]1c1ccc(OCCCOCc2ccccc2OC)cc1.COCCCN1CC(C)(C)c2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21.COCCCN1CC2(CC2)c2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21.
What is the InChIKey of 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]?
The InChIKey is KRFGVTLVQSLCSM-DYUZCVBWSA-N. The full InChI is InChI=1S/C37H48N2O5.C37H50N2O5.C35H46N2O6/c1-40-20-5-19-39-27-37(16-17-37)33-14-9-28(23-34(33)39)25-44-36-24-38-18-15-32(36)29-10-12-31(13-11-29)43-22-6-21-42-26-30-7-3-4-8-35(30)41-2;1-37(2)27-39(19-7-20-40-3)34-23-28(11-16-33(34)37)25-44-36-24-38-18-17-32(36)29-12-14-31(15-13-29)43-22-8-21-42-26-30-9-5-6-10-35(30)41-4;1-37(35(38)14-8-21-39-2)32-12-6-4-10-28(32)26-43-34-24-36-20-19-31(34)27-15-17-30(18-16-27)42-23-9-22-41-25-29-11-5-7-13-33(29)40-3/h3-4,7-14,23,32,36,38H,5-6,15-22,24-27H2,1-2H3;5-6,9-16,23,32,36,38H,7-8,17-22,24-27H2,1-4H3;4-7,10-13,15-18,31,34,36H,8-9,14,19-26H2,1-3H3/t2*32-,36+;31-,34+/m111/s1.
What are the key properties of 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane]?
4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane] has a molecular weight of 1794.38 g/mol, XLogP of 18.44, 49 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-methylbutanamide;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)-3,3-dimethyl-2H-indole;6-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1-(3-methoxypropyl)spiro[2H-indole-3,1'-cyclopropane] is sourced from PubChem (CID 159217141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).