(3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid)

C25H35F6N3O6 — CID 155841005

About (3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid)

(3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155841005) has the molecular formula C25H35F6N3O6 and a molecular weight of 587.56 g/mol. Its IUPAC name is (3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: (3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155841005
• Molecular Formula: C25H35F6N3O6
• Molecular Weight: 587.56 g/mol
• Exact Mass: 587.24
• IUPAC Name: (3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1ccc(CN2CCC3(CC2)CC[C@@]2(C(=O)N(C)C)CN(C)C[C@@H]32)o1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H33N3O2.2C2HF3O2/c1-16-5-6-17(26-16)13-24-11-9-20(10-12-24)7-8-21(19(25)22(2)3)15-23(4)14-18(20)21;2*3-2(4,5)1(6)7/h5-6,18H,7-15H2,1-4H3;2*(H,6,7)/t18-,21+;;/m0../s1
• InChIKey: DLRQCVOYVVMWHF-GQYJSNKSSA-N
• XLogP: 3.87
• TPSA: 114.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.56
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of (3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155841005) is (3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for (3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for (3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid) is Cc1ccc(CN2CCC3(CC2)CC[C@@]2(C(=O)N(C)C)CN(C)C[C@@H]32)o1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of (3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is DLRQCVOYVVMWHF-GQYJSNKSSA-N. The full InChI is InChI=1S/C21H33N3O2.2C2HF3O2/c1-16-5-6-17(26-16)13-24-11-9-20(10-12-24)7-8-21(19(25)22(2)3)15-23(4)14-18(20)21;2*3-2(4,5)1(6)7/h5-6,18H,7-15H2,1-4H3;2*(H,6,7)/t18-,21+;;/m0../s1.

What are the key properties of (3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid)?

(3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 587.56 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155841005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).