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

C25H33F3N2O3 — CID 118745298

IUPACN-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC2(CCN(CC3CC3)CC2)c2ccccc21)NC1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H32N2O.C2HF3O2/c26-22(24-19-4-3-5-19)14-18-15-23(21-7-2-1-6-20(18)21)10-12-25(13-11-23)16-17-8-9-17;3-2(4,5)1(6)7/h1-2,6-7,17-19H,3-5,8-16H2,(H,24,26);(H,6,7)
InChIKeyXEQPIDWAXSZBLR-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.61
Rot. Bonds5

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

N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 118745298) has the molecular formula C25H33F3N2O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID118745298
Molecular FormulaC25H33F3N2O3
Molecular Weight466.54 g/mol
Exact Mass466.24
IUPAC NameN-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC2(CCN(CC3CC3)CC2)c2ccccc21)NC1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H32N2O.C2HF3O2/c26-22(24-19-4-3-5-19)14-18-15-23(21-7-2-1-6-20(18)21)10-12-25(13-11-23)16-17-8-9-17;3-2(4,5)1(6)7/h1-2,6-7,17-19H,3-5,8-16H2,(H,24,26);(H,6,7)
InChIKeyXEQPIDWAXSZBLR-UHFFFAOYSA-N
XLogP4.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopropane-1-carboxamide
CID 11523929
2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide
CID 118739127
2-(5-Fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
CID 118739129
N-(Cyclopropylmethyl)-2-(2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)acetamide
CID 118740888
2-(6-Fluoro-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)-N,N-dimethylacetamide
CID 118741143
N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118745299
[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-trimethylazanium;2,2,2-trifluoroacetate
CID 134144324
trans-(1S,2S)-N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]-2-phenylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 53470092
trans-(1S,2S)-2-phenyl-N-(2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 53470094
trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 53470096
N-cyclopropyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 118742386
N-cyclopropyl-1'-(cyclopropylmethyl)spiro[indene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 118742401

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid (CID 118745298) is N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid is O=C(CC1CC2(CCN(CC3CC3)CC2)c2ccccc21)NC1CCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is XEQPIDWAXSZBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O.C2HF3O2/c26-22(24-19-4-3-5-19)14-18-15-23(21-7-2-1-6-20(18)21)10-12-25(13-11-23)16-17-8-9-17;3-2(4,5)1(6)7/h1-2,6-7,17-19H,3-5,8-16H2,(H,24,26);(H,6,7).
What are the key properties of N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid?
N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 466.54 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118745298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).