benzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol

C52H65FN4O6 — CID 170728796

IUPACbenzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCCC(=O)NC=O.COc1ccc(F)c(N2CCC3(CC2)CC(CN2CCC4(CC2)COc2cc5c(cc24)CNC5=O)C3)c1.Oc1ccc2c(c1)CCCC2.c1ccccc1
InChIInChI=1S/C30H36FN3O3.C10H12O.C6H11NO2.C6H6/c1-36-22-2-3-25(31)26(13-22)34-10-4-29(5-11-34)15-20(16-29)18-33-8-6-30(7-9-33)19-37-27-14-23-21(12-24(27)30)17-32-28(23)35;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-3-4-6(9)7-5-8;1-2-4-6-5-3-1/h2-3,12-14,20H,4-11,15-19H2,1H3,(H,32,35);5-7,11H,1-4H2;5H,2-4H2,1H3,(H,7,8,9);1-6H
InChIKeyKPOMZMKLWRFPCH-UHFFFAOYSA-N
MW861.11 g/mol
LogP8.91
Rot. Bonds8

About benzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol

benzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 170728796) has the molecular formula C52H65FN4O6 and a molecular weight of 861.11 g/mol. Its IUPAC name is benzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Namebenzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID170728796
Molecular FormulaC52H65FN4O6
Molecular Weight861.11 g/mol
Exact Mass860.49
IUPAC Namebenzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCCC(=O)NC=O.COc1ccc(F)c(N2CCC3(CC2)CC(CN2CCC4(CC2)COc2cc5c(cc24)CNC5=O)C3)c1.Oc1ccc2c(c1)CCCC2.c1ccccc1
InChIInChI=1S/C30H36FN3O3.C10H12O.C6H11NO2.C6H6/c1-36-22-2-3-25(31)26(13-22)34-10-4-29(5-11-34)15-20(16-29)18-33-8-6-30(7-9-33)19-37-27-14-23-21(12-24(27)30)17-32-28(23)35;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-3-4-6(9)7-5-8;1-2-4-6-5-3-1/h2-3,12-14,20H,4-11,15-19H2,1H3,(H,32,35);5-7,11H,1-4H2;5H,2-4H2,1H3,(H,7,8,9);1-6H
InChIKeyKPOMZMKLWRFPCH-UHFFFAOYSA-N
XLogP8.91
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.11
LogP ≤ 58.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze benzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of benzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol (CID 170728796) is benzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for benzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for benzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol is CCCCC(=O)NC=O.COc1ccc(F)c(N2CCC3(CC2)CC(CN2CCC4(CC2)COc2cc5c(cc24)CNC5=O)C3)c1.Oc1ccc2c(c1)CCCC2.c1ccccc1.
What is the InChIKey of benzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is KPOMZMKLWRFPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN3O3.C10H12O.C6H11NO2.C6H6/c1-36-22-2-3-25(31)26(13-22)34-10-4-29(5-11-34)15-20(16-29)18-33-8-6-30(7-9-33)19-37-27-14-23-21(12-24(27)30)17-32-28(23)35;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-3-4-6(9)7-5-8;1-2-4-6-5-3-1/h2-3,12-14,20H,4-11,15-19H2,1H3,(H,32,35);5-7,11H,1-4H2;5H,2-4H2,1H3,(H,7,8,9);1-6H.
What are the key properties of benzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol?
benzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 861.11 g/mol, XLogP of 8.91, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1'-[[7-(2-fluoro-5-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]spiro[5,6-dihydro-2H-furo[3,2-f]isoindole-3,4'-piperidine]-7-one;N-formylpentanamide;5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 170728796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).