1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C25H30F3N3O3 — CID 59053855

IUPAC1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
SMILESCC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(OC(C)C)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H30F3N3O3/c1-16(2)34-21-7-5-18(15-19(21)25(26,27)28)23(33)30-11-9-24(10-12-30)22-8-6-20(17(3)32)31(22)14-13-29(24)4/h5-8,15-16H,9-14H2,1-4H3
InChIKeyXIDCRMLORDRPDZ-UHFFFAOYSA-N
MW477.53 g/mol
LogP4.57
Rot. Bonds4

About 1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 59053855) has the molecular formula C25H30F3N3O3 and a molecular weight of 477.53 g/mol. Its IUPAC name is 1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
PubChem CID59053855
Molecular FormulaC25H30F3N3O3
Molecular Weight477.53 g/mol
Exact Mass477.22
IUPAC Name1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
SMILESCC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(OC(C)C)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H30F3N3O3/c1-16(2)34-21-7-5-18(15-19(21)25(26,27)28)23(33)30-11-9-24(10-12-30)22-8-6-20(17(3)32)31(22)14-13-29(24)4/h5-8,15-16H,9-14H2,1-4H3
InChIKeyXIDCRMLORDRPDZ-UHFFFAOYSA-N
XLogP4.57
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The IUPAC name of 1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 59053855) is 1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The canonical SMILES for 1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(OC(C)C)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The InChIKey is XIDCRMLORDRPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O3/c1-16(2)34-21-7-5-18(15-19(21)25(26,27)28)23(33)30-11-9-24(10-12-30)22-8-6-20(17(3)32)31(22)14-13-29(24)4/h5-8,15-16H,9-14H2,1-4H3.
What are the key properties of 1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 477.53 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 59053855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).