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

C23H30F3N3O4 — CID 118744724

IUPACN-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)N1CCC2(CC1)CC(N1CCOCC1)c1ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H29N3O2.C2HF3O2/c25-20(22-16-5-6-16)24-9-7-21(8-10-24)15-19(23-11-13-26-14-12-23)17-3-1-2-4-18(17)21;3-2(4,5)1(6)7/h1-4,16,19H,5-15H2,(H,22,25);(H,6,7)
InChIKeyCPTQBFYHJGPGMG-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.30
Rot. Bonds2

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

N-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118744724) has the molecular formula C23H30F3N3O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118744724
Molecular FormulaC23H30F3N3O4
Molecular Weight469.50 g/mol
Exact Mass469.22
IUPAC NameN-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)N1CCC2(CC1)CC(N1CCOCC1)c1ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H29N3O2.C2HF3O2/c25-20(22-16-5-6-16)24-9-7-21(8-10-24)15-19(23-11-13-26-14-12-23)17-3-1-2-4-18(17)21;3-2(4,5)1(6)7/h1-4,16,19H,5-15H2,(H,22,25);(H,6,7)
InChIKeyCPTQBFYHJGPGMG-UHFFFAOYSA-N
XLogP3.30
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid (CID 118744724) is N-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CC1)N1CCC2(CC1)CC(N1CCOCC1)c1ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CPTQBFYHJGPGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2.C2HF3O2/c25-20(22-16-5-6-16)24-9-7-21(8-10-24)15-19(23-11-13-26-14-12-23)17-3-1-2-4-18(17)21;3-2(4,5)1(6)7/h1-4,16,19H,5-15H2,(H,22,25);(H,6,7).
What are the key properties of N-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 469.50 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).