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

C37H46N2O6 — CID 59457285

IUPAC6'-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1'-(3-methoxypropyl)spiro[cyclopropane-1,3'-indole]-2'-one
SMILESCOCCCN1C(=O)C2(CC2)c2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21
InChIInChI=1S/C37H46N2O6/c1-41-20-5-19-39-33-23-27(9-14-32(33)37(16-17-37)36(39)40)25-45-35-24-38-18-15-31(35)28-10-12-30(13-11-28)44-22-6-21-43-26-29-7-3-4-8-34(29)42-2/h3-4,7-14,23,31,35,38H,5-6,15-22,24-26H2,1-2H3/t31-,35+/m1/s1
InChIKeyBLLSKPDQTMHTDG-NQVJXQQZSA-N
MW614.78 g/mol
LogP5.76
Rot. Bonds16

About 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

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 (PubChem CID 59457285) has the molecular formula C37H46N2O6 and a molecular weight of 614.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6'-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1'-(3-methoxypropyl)spiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID59457285
Molecular FormulaC37H46N2O6
Molecular Weight614.78 g/mol
Exact Mass614.34
IUPAC Name6'-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-1'-(3-methoxypropyl)spiro[cyclopropane-1,3'-indole]-2'-one
SMILESCOCCCN1C(=O)C2(CC2)c2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21
InChIInChI=1S/C37H46N2O6/c1-41-20-5-19-39-33-23-27(9-14-32(33)37(16-17-37)36(39)40)25-45-35-24-38-18-15-31(35)28-10-12-30(13-11-28)44-22-6-21-43-26-29-7-3-4-8-34(29)42-2/h3-4,7-14,23,31,35,38H,5-6,15-22,24-26H2,1-2H3/t31-,35+/m1/s1
InChIKeyBLLSKPDQTMHTDG-NQVJXQQZSA-N
XLogP5.76
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.78
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

Acetamide,N-[2-[3,4-dihydro-7-[[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-piperidinyl]oxy]methyl]-1(2H)-quinolinyl]ethyl]-
CID 9851682
7-((3R,4R)-4-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phenyl}-piperidin-3-yloxymethyl)-1H-quinolin-2-one
CID 44279174
3-[5-tert-butyl-2-(2-piperazin-1-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one
CID 73349487
3-methyl-3-[4-[4-(4-methylphenoxy)piperidin-1-yl]butyl]-1H-indol-2-one;hydrochloride
CID 44535253
1'-[2-(dimethylamino)acetyl]-6-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 127029882
6-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1'-methylspiro[1H-indole-3,4'-piperidine]-2-one
CID 127029883
6-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]spiro[1H-indole-3,4'-piperidine]-2-one;hydrochloride
CID 127029885
6-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1'-methyl-1'-oxidospiro[1H-indole-3,4'-piperidin-1-ium]-2-one
CID 127031152
1-methyl-N-[3-[(Z)-1-phenyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pent-1-enyl]phenyl]piperidine-4-carboxamide
CID 168294590
3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-5-iodo-3-(4-methoxyphenyl)-1H-indol-2-one
CID 73346440
3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-5-(trifluoromethoxy)-1H-indol-2-one
CID 73346441
3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-[4-(dimethylamino)phenyl]-6,7-difluoro-1H-indol-2-one
CID 73346442

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCCN1C(=O)C2(CC2)c2ccc(CO[C@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is BLLSKPDQTMHTDG-NQVJXQQZSA-N. The full InChI is InChI=1S/C37H46N2O6/c1-41-20-5-19-39-33-23-27(9-14-32(33)37(16-17-37)36(39)40)25-45-35-24-38-18-15-31(35)28-10-12-30(13-11-28)44-22-6-21-43-26-29-7-3-4-8-34(29)42-2/h3-4,7-14,23,31,35,38H,5-6,15-22,24-26H2,1-2H3/t31-,35+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 614.78 g/mol, XLogP of 5.76, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59457285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).