1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one

C25H25F3N2O3 — CID 59862930

IUPAC1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one
SMILESO=C(COc1ccccc1C(F)(F)F)N1CCC2(CC1)C(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C25H25F3N2O3/c26-25(27,28)19-6-2-4-8-21(19)33-16-22(31)29-13-11-24(12-14-29)18-5-1-3-7-20(18)30(23(24)32)15-17-9-10-17/h1-8,17H,9-16H2
InChIKeyONQXZEJIUDQQKH-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.40
Rot. Bonds5

About 1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one

1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 59862930) has the molecular formula C25H25F3N2O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID59862930
Molecular FormulaC25H25F3N2O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC Name1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one
SMILESO=C(COc1ccccc1C(F)(F)F)N1CCC2(CC1)C(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C25H25F3N2O3/c26-25(27,28)19-6-2-4-8-21(19)33-16-22(31)29-13-11-24(12-14-29)18-5-1-3-7-20(18)30(23(24)32)15-17-9-10-17/h1-8,17H,9-16H2
InChIKeyONQXZEJIUDQQKH-UHFFFAOYSA-N
XLogP4.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methyl-2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)-2-phenoxyacetamide
CID 16823178
3-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]butyl]-3-methyl-1H-indol-2-one;hydrochloride
CID 44535251
1'-(2-ethoxybenzyl)spiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
CID 9177767
5,6-difluoro-1'-pentylspiro[1-benzofuran-3,3'-indol]-2'(1'H)-one
CID 11998468
(3aR,7aS)-2-[2-(4-methylphenyl)acetyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 71008943
(3aR,7aS)-2-(2-phenylacetyl)-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 71009010
(3aR,7aS)-2-[2-(4-fluorophenyl)acetyl]-5-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 71009063
1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-(2-fluorophenoxy)ethanone
CID 3405078
(1R,3S)-1'-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)spiro[4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1,3'-indole]-2'-one
CID 49858942
(2S,6R)-1'-benzyl-4-methyl-2-(phenoxymethyl)spiro[2,5-dihydropyran-6,3'-indole]-2'-one
CID 49858835
3-[[4-[2-(Diethylamino)ethoxy]phenyl]methyl]-1,3-dihydroindol-2-one
CID 71463083
1'-[(4-ethoxyphenyl)acetyl]-1-methylspiro[indole-3,4'-piperidin]-2(1H)-one
CID 91904585

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one (CID 59862930) is 1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one is O=C(COc1ccccc1C(F)(F)F)N1CCC2(CC1)C(=O)N(CC1CC1)c1ccccc12.
What is the InChIKey of 1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is ONQXZEJIUDQQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O3/c26-25(27,28)19-6-2-4-8-21(19)33-16-22(31)29-13-11-24(12-14-29)18-5-1-3-7-20(18)30(23(24)32)15-17-9-10-17/h1-8,17H,9-16H2.
What are the key properties of 1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one?
1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 458.48 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1'-[2-[2-(trifluoromethyl)phenoxy]acetyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 59862930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).