(1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid

C21H25F3N2O3 — CID 118743558

IUPAC(1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCN1CCC2(C=C(C(=O)N3CCCC3)c3ccccc32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N2O.C2HF3O2/c1-20-12-8-19(9-13-20)14-16(15-6-2-3-7-17(15)19)18(22)21-10-4-5-11-21;3-2(4,5)1(6)7/h2-3,6-7,14H,4-5,8-13H2,1H3;(H,6,7)
InChIKeyRCEQMDMSNAKMAK-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.30
Rot. Bonds1

About (1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid

(1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 118743558) has the molecular formula C21H25F3N2O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is (1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID118743558
Molecular FormulaC21H25F3N2O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC Name(1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCN1CCC2(C=C(C(=O)N3CCCC3)c3ccccc32)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N2O.C2HF3O2/c1-20-12-8-19(9-13-20)14-16(15-6-2-3-7-17(15)19)18(22)21-10-4-5-11-21;3-2(4,5)1(6)7/h2-3,6-7,14H,4-5,8-13H2,1H3;(H,6,7)
InChIKeyRCEQMDMSNAKMAK-UHFFFAOYSA-N
XLogP3.30
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504198
1-[8-[4-Methyl-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97362463
1'-ethyl-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 97400462
1-(2-(3-(Trifluoromethyl)benzoyl)-2,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 97449096
N,N,1'-trimethylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504196
N,N-dimethyl-1'-propan-2-ylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504197
N,N-dimethyl-1'-propanoylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504199
Pyrrolidin-1-yl(spiro[indene-1,4'-piperidin]-3-yl)methanone
CID 97504213
(1'-Methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone
CID 97504214
[1'-(2-Methylpropyl)spiro[indene-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone
CID 97504215
1-[3-(Pyrrolidine-1-carbonyl)spiro[indene-1,4'-piperidine]-1'-yl]propan-1-one
CID 97504216
[1'-(2-Hydroxyethyl)spiro[indene-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone
CID 97504217

Frequently Asked Questions

What is the IUPAC name of (1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid (CID 118743558) is (1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid is CN1CCC2(C=C(C(=O)N3CCCC3)c3ccccc32)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of (1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is RCEQMDMSNAKMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.C2HF3O2/c1-20-12-8-19(9-13-20)14-16(15-6-2-3-7-17(15)19)18(22)21-10-4-5-11-21;3-2(4,5)1(6)7/h2-3,6-7,14H,4-5,8-13H2,1H3;(H,6,7).
What are the key properties of (1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
(1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 410.44 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-methylspiro[indene-3,4'-piperidine]-1-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).