5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol

C26H29N3O2 — CID 54185766

IUPAC5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol
SMILESOc1[nH]c(O)c2c1CN(c1ccccc1)C21CCN([C@@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C26H29N3O2/c30-24-21-17-29(19-9-2-1-3-10-19)26(23(21)25(31)27-24)13-15-28(16-14-26)22-12-6-8-18-7-4-5-11-20(18)22/h1-5,7,9-11,22,27,30-31H,6,8,12-17H2/t22-/m1/s1
InChIKeyPEZJBDGYVLXUJX-JOCHJYFZSA-N
MW415.54 g/mol
LogP4.81
Rot. Bonds2

About 5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol

5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol (PubChem CID 54185766) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol.

Molecular Properties

Compound Name5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol
PubChem CID54185766
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol
SMILESOc1[nH]c(O)c2c1CN(c1ccccc1)C21CCN([C@@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C26H29N3O2/c30-24-21-17-29(19-9-2-1-3-10-19)26(23(21)25(31)27-24)13-15-28(16-14-26)22-12-6-8-18-7-4-5-11-20(18)22/h1-5,7,9-11,22,27,30-31H,6,8,12-17H2/t22-/m1/s1
InChIKeyPEZJBDGYVLXUJX-JOCHJYFZSA-N
XLogP4.81
TPSA62.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol?
The IUPAC name of 5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol (CID 54185766) is 5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol.
What is the SMILES notation for 5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol?
The canonical SMILES for 5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol is Oc1[nH]c(O)c2c1CN(c1ccccc1)C21CCN([C@@H]2CCCc3ccccc32)CC1.
What is the InChIKey of 5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol?
The InChIKey is PEZJBDGYVLXUJX-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H29N3O2/c30-24-21-17-29(19-9-2-1-3-10-19)26(23(21)25(31)27-24)13-15-28(16-14-26)22-12-6-8-18-7-4-5-11-20(18)22/h1-5,7,9-11,22,27,30-31H,6,8,12-17H2/t22-/m1/s1.
What are the key properties of 5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol?
5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol has a molecular weight of 415.54 g/mol, XLogP of 4.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[2,6-dihydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol is sourced from PubChem (CID 54185766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).