N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid

C25H29F3N4O3 — CID 155857325

IUPACN-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCCC1)C1CC2(CCN(c3cnccn3)CC2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C23H28N4O.C2HF3O2/c28-22(26-17-5-1-2-6-17)19-15-23(20-8-4-3-7-18(19)20)9-13-27(14-10-23)21-16-24-11-12-25-21;3-2(4,5)1(6)7/h3-4,7-8,11-12,16-17,19H,1-2,5-6,9-10,13-15H2,(H,26,28);(H,6,7)
InChIKeyZTPWGOSKNNBZHZ-UHFFFAOYSA-N
MW490.53 g/mol
LogP4.19
Rot. Bonds3

About N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid

N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155857325) has the molecular formula C25H29F3N4O3 and a molecular weight of 490.53 g/mol. Its IUPAC name is N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155857325
Molecular FormulaC25H29F3N4O3
Molecular Weight490.53 g/mol
Exact Mass490.22
IUPAC NameN-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCCC1)C1CC2(CCN(c3cnccn3)CC2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C23H28N4O.C2HF3O2/c28-22(26-17-5-1-2-6-17)19-15-23(20-8-4-3-7-18(19)20)9-13-27(14-10-23)21-16-24-11-12-25-21;3-2(4,5)1(6)7/h3-4,7-8,11-12,16-17,19H,1-2,5-6,9-10,13-15H2,(H,26,28);(H,6,7)
InChIKeyZTPWGOSKNNBZHZ-UHFFFAOYSA-N
XLogP4.19
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155857325) is N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CCCC1)C1CC2(CCN(c3cnccn3)CC2)c2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZTPWGOSKNNBZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.C2HF3O2/c28-22(26-17-5-1-2-6-17)19-15-23(20-8-4-3-7-18(19)20)9-13-27(14-10-23)21-16-24-11-12-25-21;3-2(4,5)1(6)7/h3-4,7-8,11-12,16-17,19H,1-2,5-6,9-10,13-15H2,(H,26,28);(H,6,7).
What are the key properties of N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 490.53 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155857325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).