1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid

C21H26F3N3O4 — CID 155834622

IUPAC1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)N1CCC2(C1)C(=O)N(CC1CC1)c1ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C19H25N3O2.C2HF3O2/c1-20(2)12-17(23)21-10-9-19(13-21)15-5-3-4-6-16(15)22(18(19)24)11-14-7-8-14;3-2(4,5)1(6)7/h3-6,14H,7-13H2,1-2H3;(H,6,7)
InChIKeyFPZAFUPXRUYMPD-UHFFFAOYSA-N
MW441.45 g/mol
LogP2.11
Rot. Bonds4

About 1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid

1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid (PubChem CID 155834622) has the molecular formula C21H26F3N3O4 and a molecular weight of 441.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
PubChem CID155834622
Molecular FormulaC21H26F3N3O4
Molecular Weight441.45 g/mol
Exact Mass441.19
IUPAC Name1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)N1CCC2(C1)C(=O)N(CC1CC1)c1ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C19H25N3O2.C2HF3O2/c1-20(2)12-17(23)21-10-9-19(13-21)15-5-3-4-6-16(15)22(18(19)24)11-14-7-8-14;3-2(4,5)1(6)7/h3-6,14H,7-13H2,1-2H3;(H,6,7)
InChIKeyFPZAFUPXRUYMPD-UHFFFAOYSA-N
XLogP2.11
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 155833256
1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one
CID 59862930
1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 118744920
1-(cyclopropylmethyl)-1'-(1-oxo-2,3-dihydroindene-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157014311
2-[2-oxo-1'-(4,4,4-trifluorobutanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70736858
1-[4-(4-aminophenyl)piperidin-1-yl]-2-(dimethylamino)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 131727836
ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate
CID 83290555
1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177144
(3R)-1-(cyclopropylmethyl)-1'-(furan-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 97415648
1-(cyclopropylmethyl)-1'-(pyridin-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 131659559
1-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 131657552
1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134795624

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid (CID 155834622) is 1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid is CN(C)CC(=O)N1CCC2(C1)C(=O)N(CC1CC1)c1ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is FPZAFUPXRUYMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.C2HF3O2/c1-20(2)12-17(23)21-10-9-19(13-21)15-5-3-4-6-16(15)22(18(19)24)11-14-7-8-14;3-2(4,5)1(6)7/h3-6,14H,7-13H2,1-2H3;(H,6,7).
What are the key properties of 1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid?
1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 441.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1'-[2-(dimethylamino)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155834622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).