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

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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).