N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid

C24H29F3N2O3S — CID 118743828

IUPACN,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)CC1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C22H28N2OS.C2HF3O2/c1-23(2)21(25)13-18-14-22(20-6-4-3-5-19(18)20)8-10-24(11-9-22)15-17-7-12-26-16-17;3-2(4,5)1(6)7/h3-7,12,16,18H,8-11,13-15H2,1-2H3;(H,6,7)
InChIKeyBLJPUJGXVHUAHH-UHFFFAOYSA-N
MW482.57 g/mol
LogP4.88
Rot. Bonds4

About N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118743828) has the molecular formula C24H29F3N2O3S and a molecular weight of 482.57 g/mol. Its IUPAC name is N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID118743828
Molecular FormulaC24H29F3N2O3S
Molecular Weight482.57 g/mol
Exact Mass482.19
IUPAC NameN,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)CC1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C22H28N2OS.C2HF3O2/c1-23(2)21(25)13-18-14-22(20-6-4-3-5-19(18)20)8-10-24(11-9-22)15-17-7-12-26-16-17;3-2(4,5)1(6)7/h3-7,12,16,18H,8-11,13-15H2,1-2H3;(H,6,7)
InChIKeyBLJPUJGXVHUAHH-UHFFFAOYSA-N
XLogP4.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid (CID 118743828) is N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)CC1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is BLJPUJGXVHUAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2OS.C2HF3O2/c1-23(2)21(25)13-18-14-22(20-6-4-3-5-19(18)20)8-10-24(11-9-22)15-17-7-12-26-16-17;3-2(4,5)1(6)7/h3-7,12,16,18H,8-11,13-15H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 482.57 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).