(3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]

C26H41N3 — CID 11014751

IUPAC(3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]
SMILESCN1C[C@@H]2CN(c3ccccc3)C3(CCN(C4CCCCCCCC4)CC3)[C@@H]2C1
InChIInChI=1S/C26H41N3/c1-27-19-22-20-29(24-13-9-6-10-14-24)26(25(22)21-27)15-17-28(18-16-26)23-11-7-4-2-3-5-8-12-23/h6,9-10,13-14,22-23,25H,2-5,7-8,11-12,15-21H2,1H3/t22-,25-/m1/s1
InChIKeyRYDOVBNORDTWNV-RCZVLFRGSA-N
MW395.64 g/mol
LogP5.02
Rot. Bonds2

About (3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]

(3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine] (PubChem CID 11014751) has the molecular formula C26H41N3 and a molecular weight of 395.64 g/mol. Its IUPAC name is (3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine].

Molecular Properties

Compound Name(3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]
PubChem CID11014751
Molecular FormulaC26H41N3
Molecular Weight395.64 g/mol
Exact Mass395.33
IUPAC Name(3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]
SMILESCN1C[C@@H]2CN(c3ccccc3)C3(CCN(C4CCCCCCCC4)CC3)[C@@H]2C1
InChIInChI=1S/C26H41N3/c1-27-19-22-20-29(24-13-9-6-10-14-24)26(25(22)21-27)15-17-28(18-16-26)23-11-7-4-2-3-5-8-12-23/h6,9-10,13-14,22-23,25H,2-5,7-8,11-12,15-21H2,1H3/t22-,25-/m1/s1
InChIKeyRYDOVBNORDTWNV-RCZVLFRGSA-N
XLogP5.02
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.64
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine] 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 (3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]?
The IUPAC name of (3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine] (CID 11014751) is (3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine].
What is the SMILES notation for (3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]?
The canonical SMILES for (3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine] is CN1C[C@@H]2CN(c3ccccc3)C3(CCN(C4CCCCCCCC4)CC3)[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]?
The InChIKey is RYDOVBNORDTWNV-RCZVLFRGSA-N. The full InChI is InChI=1S/C26H41N3/c1-27-19-22-20-29(24-13-9-6-10-14-24)26(25(22)21-27)15-17-28(18-16-26)23-11-7-4-2-3-5-8-12-23/h6,9-10,13-14,22-23,25H,2-5,7-8,11-12,15-21H2,1H3/t22-,25-/m1/s1.
What are the key properties of (3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]?
(3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine] has a molecular weight of 395.64 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-1'-cyclononyl-2-methyl-5-phenylspiro[3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,4'-piperidine] is sourced from PubChem (CID 11014751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).