2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol

C25H29N3O2 — CID 54144327

IUPAC2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol
SMILESC[C@H](c1ccccc1)N1CCC2(CC1)c1c(c(O)n(C)c1O)CN2c1ccccc1
InChIInChI=1S/C25H29N3O2/c1-18(19-9-5-3-6-10-19)27-15-13-25(14-16-27)22-21(23(29)26(2)24(22)30)17-28(25)20-11-7-4-8-12-20/h3-12,18,29-30H,13-17H2,1-2H3/t18-/m1/s1
InChIKeyODHGIAONWZXEHG-GOSISDBHSA-N
MW403.53 g/mol
LogP4.51
Rot. Bonds3

About 2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol

2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol (PubChem CID 54144327) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol.

Molecular Properties

Compound Name2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol
PubChem CID54144327
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol
SMILESC[C@H](c1ccccc1)N1CCC2(CC1)c1c(c(O)n(C)c1O)CN2c1ccccc1
InChIInChI=1S/C25H29N3O2/c1-18(19-9-5-3-6-10-19)27-15-13-25(14-16-27)22-21(23(29)26(2)24(22)30)17-28(25)20-11-7-4-8-12-20/h3-12,18,29-30H,13-17H2,1-2H3/t18-/m1/s1
InChIKeyODHGIAONWZXEHG-GOSISDBHSA-N
XLogP4.51
TPSA51.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol?
The IUPAC name of 2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol (CID 54144327) is 2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol.
What is the SMILES notation for 2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol?
The canonical SMILES for 2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol is C[C@H](c1ccccc1)N1CCC2(CC1)c1c(c(O)n(C)c1O)CN2c1ccccc1.
What is the InChIKey of 2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol?
The InChIKey is ODHGIAONWZXEHG-GOSISDBHSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18(19-9-5-3-6-10-19)27-15-13-25(14-16-27)22-21(23(29)26(2)24(22)30)17-28(25)20-11-7-4-8-12-20/h3-12,18,29-30H,13-17H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol?
2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol has a molecular weight of 403.53 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-1'-[(1R)-1-phenylethyl]spiro[6H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-diol is sourced from PubChem (CID 54144327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).