benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene

C42H48N4O4 — CID 167478456

IUPACbenzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(OC3CCN(CCOc4ccccc4)CC3)cc21.c1ccc2c(c1)CCCC2.c1ccccc1
InChIInChI=1S/C26H30N4O4.C10H12.C6H6/c1-29-23-17-20(7-8-21(23)25(28-29)22-9-10-24(31)27-26(22)32)34-19-11-13-30(14-12-19)15-16-33-18-5-3-2-4-6-18;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1/h2-8,17,19,22H,9-16H2,1H3,(H,27,31,32);1-2,5-6H,3-4,7-8H2;1-6H
InChIKeyFOZJPSUCTQTKBW-UHFFFAOYSA-N
MW672.87 g/mol
LogP7.27
Rot. Bonds7

About benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene

benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene (PubChem CID 167478456) has the molecular formula C42H48N4O4 and a molecular weight of 672.87 g/mol. Its IUPAC name is benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Namebenzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene
PubChem CID167478456
Molecular FormulaC42H48N4O4
Molecular Weight672.87 g/mol
Exact Mass672.37
IUPAC Namebenzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(OC3CCN(CCOc4ccccc4)CC3)cc21.c1ccc2c(c1)CCCC2.c1ccccc1
InChIInChI=1S/C26H30N4O4.C10H12.C6H6/c1-29-23-17-20(7-8-21(23)25(28-29)22-9-10-24(31)27-26(22)32)34-19-11-13-30(14-12-19)15-16-33-18-5-3-2-4-6-18;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1/h2-8,17,19,22H,9-16H2,1H3,(H,27,31,32);1-2,5-6H,3-4,7-8H2;1-6H
InChIKeyFOZJPSUCTQTKBW-UHFFFAOYSA-N
XLogP7.27
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene (CID 167478456) is benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene is Cn1nc(C2CCC(=O)NC2=O)c2ccc(OC3CCN(CCOc4ccccc4)CC3)cc21.c1ccc2c(c1)CCCC2.c1ccccc1.
What is the InChIKey of benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene?
The InChIKey is FOZJPSUCTQTKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4.C10H12.C6H6/c1-29-23-17-20(7-8-21(23)25(28-29)22-9-10-24(31)27-26(22)32)34-19-11-13-30(14-12-19)15-16-33-18-5-3-2-4-6-18;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1/h2-8,17,19,22H,9-16H2,1H3,(H,27,31,32);1-2,5-6H,3-4,7-8H2;1-6H.
What are the key properties of benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene?
benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene has a molecular weight of 672.87 g/mol, XLogP of 7.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 167478456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).