N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid

C21H28F3N3O3 — CID 118744717

IUPACN-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C1CC2(CCN(C(=O)NC3CC3)CC2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N3O.C2HF3O2/c1-21(2)17-13-19(16-6-4-3-5-15(16)17)9-11-22(12-10-19)18(23)20-14-7-8-14;3-2(4,5)1(6)7/h3-6,14,17H,7-13H2,1-2H3,(H,20,23);(H,6,7)
InChIKeyWEAMBKNOWPBSGM-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.53
Rot. Bonds2

About N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid

N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118744717) has the molecular formula C21H28F3N3O3 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118744717
Molecular FormulaC21H28F3N3O3
Molecular Weight427.47 g/mol
Exact Mass427.21
IUPAC NameN-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C1CC2(CCN(C(=O)NC3CC3)CC2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N3O.C2HF3O2/c1-21(2)17-13-19(16-6-4-3-5-15(16)17)9-11-22(12-10-19)18(23)20-14-7-8-14;3-2(4,5)1(6)7/h3-6,14,17H,7-13H2,1-2H3,(H,20,23);(H,6,7)
InChIKeyWEAMBKNOWPBSGM-UHFFFAOYSA-N
XLogP3.53
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid (CID 118744717) is N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C1CC2(CCN(C(=O)NC3CC3)CC2)c2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is WEAMBKNOWPBSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O.C2HF3O2/c1-21(2)17-13-19(16-6-4-3-5-15(16)17)9-11-22(12-10-19)18(23)20-14-7-8-14;3-2(4,5)1(6)7/h3-6,14,17H,7-13H2,1-2H3,(H,20,23);(H,6,7).
What are the key properties of N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 427.47 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(dimethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).