1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid

C21H20F3N3O4 — CID 155825279

IUPAC1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)C2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H19N3O2.C2HF3O2/c1-21-16-5-3-2-4-15(16)19(18(21)24)8-12-22(13-9-19)17(23)14-6-10-20-11-7-14;3-2(4,5)1(6)7/h2-7,10-11H,8-9,12-13H2,1H3;(H,6,7)
InChIKeyOCJFDFRGUCAROK-UHFFFAOYSA-N
MW435.40 g/mol
LogP2.87
Rot. Bonds1

About 1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid

1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid (PubChem CID 155825279) has the molecular formula C21H20F3N3O4 and a molecular weight of 435.40 g/mol. Its IUPAC name is 1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid
PubChem CID155825279
Molecular FormulaC21H20F3N3O4
Molecular Weight435.40 g/mol
Exact Mass435.14
IUPAC Name1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid
SMILESCN1C(=O)C2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H19N3O2.C2HF3O2/c1-21-16-5-3-2-4-15(16)19(18(21)24)8-12-22(13-9-19)17(23)14-6-10-20-11-7-14;3-2(4,5)1(6)7/h2-7,10-11H,8-9,12-13H2,1H3;(H,6,7)
InChIKeyOCJFDFRGUCAROK-UHFFFAOYSA-N
XLogP2.87
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1'-(pyridine-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375637
(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103940
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95103905
(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742354
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1'-(2-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 110875643
1-methyl-1'-(1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97386070
1'-(1-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914358
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
CID 59909654
CID 59909654
1-methyl-1'-[3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]spiro[indole-3,4'-piperidine]-2-one
CID 67224028

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid (CID 155825279) is 1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid is CN1C(=O)C2(CCN(C(=O)c3ccncc3)CC2)c2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is OCJFDFRGUCAROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2.C2HF3O2/c1-21-16-5-3-2-4-15(16)19(18(21)24)8-12-22(13-9-19)17(23)14-6-10-20-11-7-14;3-2(4,5)1(6)7/h2-7,10-11H,8-9,12-13H2,1H3;(H,6,7).
What are the key properties of 1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid?
1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 435.40 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-(pyridine-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).