N-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide

C105H138N6O18 — CID 159059244

IUPACN-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide
SMILESCOCCC(=O)N(C)c1cc(CO[C@H]2CNCC[C@@H]2c2ccc(OCCCOCc3ccccc3OC)cc2)ccc1C.COCCC(=O)N(c1cccc(CO[C@H]2CNCC[C@@H]2c2ccc(OCCCOCc3ccccc3OC)cc2)c1)C(C)C.COCCNC(=O)c1cc(CO[C@H]2CNCC[C@@H]2c2ccc(OCCCOCc3ccccc3OC)cc2)ccc1C
InChIInChI=1S/C36H48N2O6.C35H46N2O6.C34H44N2O6/c1-27(2)38(36(39)18-22-40-3)31-11-7-9-28(23-31)25-44-35-24-37-19-17-33(35)29-13-15-32(16-14-29)43-21-8-20-42-26-30-10-5-6-12-34(30)41-4;1-26-10-11-27(22-32(26)37(2)35(38)17-21-39-3)24-43-34-23-36-18-16-31(34)28-12-14-30(15-13-28)42-20-7-19-41-25-29-8-5-6-9-33(29)40-4;1-25-9-10-26(21-31(25)34(37)36-17-20-38-2)23-42-33-22-35-16-15-30(33)27-11-13-29(14-12-27)41-19-6-18-40-24-28-7-4-5-8-32(28)39-3/h5-7,9-16,23,27,33,35,37H,8,17-22,24-26H2,1-4H3;5-6,8-15,22,31,34,36H,7,16-21,23-25H2,1-4H3;4-5,7-14,21,30,33,35H,6,15-20,22-24H2,1-3H3,(H,36,37)/t33-,35+;31-,34+;30-,33+/m111/s1
InChIKeyJYGFBQQIFIMQQD-DFIXDKISSA-N
MW1772.28 g/mol
LogP16.80
Rot. Bonds49

About N-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide

N-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide (PubChem CID 159059244) has the molecular formula C105H138N6O18 and a molecular weight of 1772.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide
PubChem CID159059244
Molecular FormulaC105H138N6O18
Molecular Weight1772.28 g/mol
Exact Mass1771.01
IUPAC NameN-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide
SMILESCOCCC(=O)N(C)c1cc(CO[C@H]2CNCC[C@@H]2c2ccc(OCCCOCc3ccccc3OC)cc2)ccc1C.COCCC(=O)N(c1cccc(CO[C@H]2CNCC[C@@H]2c2ccc(OCCCOCc3ccccc3OC)cc2)c1)C(C)C.COCCNC(=O)c1cc(CO[C@H]2CNCC[C@@H]2c2ccc(OCCCOCc3ccccc3OC)cc2)ccc1C
InChIInChI=1S/C36H48N2O6.C35H46N2O6.C34H44N2O6/c1-27(2)38(36(39)18-22-40-3)31-11-7-9-28(23-31)25-44-35-24-37-19-17-33(35)29-13-15-32(16-14-29)43-21-8-20-42-26-30-10-5-6-12-34(30)41-4;1-26-10-11-27(22-32(26)37(2)35(38)17-21-39-3)24-43-34-23-36-18-16-31(34)28-12-14-30(15-13-28)42-20-7-19-41-25-29-8-5-6-9-33(29)40-4;1-25-9-10-26(21-31(25)34(37)36-17-20-38-2)23-42-33-22-35-16-15-30(33)27-11-13-29(14-12-27)41-19-6-18-40-24-28-7-4-5-8-32(28)39-3/h5-7,9-16,23,27,33,35,37H,8,17-22,24-26H2,1-4H3;5-6,8-15,22,31,34,36H,7,16-21,23-25H2,1-4H3;4-5,7-14,21,30,33,35H,6,15-20,22-24H2,1-3H3,(H,36,37)/t33-,35+;31-,34+;30-,33+/m111/s1
InChIKeyJYGFBQQIFIMQQD-DFIXDKISSA-N
XLogP16.80
TPSA244.26 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds49
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001772.28
LogP ≤ 516.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide?
The IUPAC name of N-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide (CID 159059244) is N-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide is COCCC(=O)N(C)c1cc(CO[C@H]2CNCC[C@@H]2c2ccc(OCCCOCc3ccccc3OC)cc2)ccc1C.COCCC(=O)N(c1cccc(CO[C@H]2CNCC[C@@H]2c2ccc(OCCCOCc3ccccc3OC)cc2)c1)C(C)C.COCCNC(=O)c1cc(CO[C@H]2CNCC[C@@H]2c2ccc(OCCCOCc3ccccc3OC)cc2)ccc1C.
What is the InChIKey of N-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide?
The InChIKey is JYGFBQQIFIMQQD-DFIXDKISSA-N. The full InChI is InChI=1S/C36H48N2O6.C35H46N2O6.C34H44N2O6/c1-27(2)38(36(39)18-22-40-3)31-11-7-9-28(23-31)25-44-35-24-37-19-17-33(35)29-13-15-32(16-14-29)43-21-8-20-42-26-30-10-5-6-12-34(30)41-4;1-26-10-11-27(22-32(26)37(2)35(38)17-21-39-3)24-43-34-23-36-18-16-31(34)28-12-14-30(15-13-28)42-20-7-19-41-25-29-8-5-6-9-33(29)40-4;1-25-9-10-26(21-31(25)34(37)36-17-20-38-2)23-42-33-22-35-16-15-30(33)27-11-13-29(14-12-27)41-19-6-18-40-24-28-7-4-5-8-32(28)39-3/h5-7,9-16,23,27,33,35,37H,8,17-22,24-26H2,1-4H3;5-6,8-15,22,31,34,36H,7,16-21,23-25H2,1-4H3;4-5,7-14,21,30,33,35H,6,15-20,22-24H2,1-3H3,(H,36,37)/t33-,35+;31-,34+;30-,33+/m111/s1.
What are the key properties of N-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide?
N-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide has a molecular weight of 1772.28 g/mol, XLogP of 16.80, 49 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylbenzamide;3-methoxy-N-[5-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-2-methylphenyl]-N-methylpropanamide;3-methoxy-N-[3-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]phenyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 159059244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).