4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine

C31H50N4O — CID 11123873

IUPAC4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine
SMILESCC(C)C1CCC(N2CCC3(CC2)[C@@H]2CN(CCN4CCOCC4)C[C@@H]2CN3c2ccccc2)CC1
InChIInChI=1S/C31H50N4O/c1-25(2)26-8-10-28(11-9-26)34-14-12-31(13-15-34)30-24-33(17-16-32-18-20-36-21-19-32)22-27(30)23-35(31)29-6-4-3-5-7-29/h3-7,25-28,30H,8-24H2,1-2H3/t26?,27-,28?,30-/m1/s1
InChIKeyYYERVMPUPRTTKH-AIXHKUCGSA-N
MW494.77 g/mol
LogP4.44
Rot. Bonds6

About 4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine

4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine (PubChem CID 11123873) has the molecular formula C31H50N4O and a molecular weight of 494.77 g/mol. Its IUPAC name is 4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine
PubChem CID11123873
Molecular FormulaC31H50N4O
Molecular Weight494.77 g/mol
Exact Mass494.40
IUPAC Name4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine
SMILESCC(C)C1CCC(N2CCC3(CC2)[C@@H]2CN(CCN4CCOCC4)C[C@@H]2CN3c2ccccc2)CC1
InChIInChI=1S/C31H50N4O/c1-25(2)26-8-10-28(11-9-26)34-14-12-31(13-15-34)30-24-33(17-16-32-18-20-36-21-19-32)22-27(30)23-35(31)29-6-4-3-5-7-29/h3-7,25-28,30H,8-24H2,1-2H3/t26?,27-,28?,30-/m1/s1
InChIKeyYYERVMPUPRTTKH-AIXHKUCGSA-N
XLogP4.44
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.77
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine (CID 11123873) is 4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine is CC(C)C1CCC(N2CCC3(CC2)[C@@H]2CN(CCN4CCOCC4)C[C@@H]2CN3c2ccccc2)CC1.
What is the InChIKey of 4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine?
The InChIKey is YYERVMPUPRTTKH-AIXHKUCGSA-N. The full InChI is InChI=1S/C31H50N4O/c1-25(2)26-8-10-28(11-9-26)34-14-12-31(13-15-34)30-24-33(17-16-32-18-20-36-21-19-32)22-27(30)23-35(31)29-6-4-3-5-7-29/h3-7,25-28,30H,8-24H2,1-2H3/t26?,27-,28?,30-/m1/s1.
What are the key properties of 4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine?
4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine has a molecular weight of 494.77 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3aS,6aR)-5-phenyl-1'-(4-propan-2-ylcyclohexyl)spiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-2-yl]ethyl]morpholine is sourced from PubChem (CID 11123873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).