(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C93H110ClF8N13O12S — CID 157372048

About (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 157372048) has the molecular formula C93H110ClF8N13O12S and a molecular weight of 1821.49 g/mol. Its IUPAC name is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 157372048
• Molecular Formula: C93H110ClF8N13O12S
• Molecular Weight: 1821.49 g/mol
• Exact Mass: 1819.77
• IUPAC Name: (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CCOc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)cc1OCC.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1cc(O)ccc1F)CC2.CN1CCn2c(Cl)ccc2C12CCN(C(=O)c1ccc(COc3ccccc3)cc1)CC2.CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)cc1.[H][H].[H][H]
• InChI: InChI=1S/C26H28ClN3O2.C25H33N3O4.C21H24F4N4O3S.C21H21F4N3O3.2H2/c1-28-17-18-30-23(11-12-24(30)27)26(28)13-15-29(16-14-26)25(31)21-9-7-20(8-10-21)19-32-22-5-3-2-4-6-22;1-5-31-21-9-7-19(17-22(21)32-6-2)24(30)27-13-11-25(12-14-27)23-10-8-20(18(3)29)28(23)16-15-26(25)4;1-26-33(31,32)15-5-3-14(4-6-15)19(30)28-9-7-20(8-10-28)18-16(22)13-17(21(23,24)25)29(18)12-11-27(20)2;1-26-10-11-28-16(18(30)21(23,24)25)4-5-17(28)20(26)6-8-27(9-7-20)19(31)14-12-13(29)2-3-15(14)22;;/h2-12H,13-19H2,1H3;7-10,17H,5-6,11-16H2,1-4H3;3-6,13,26H,7-12H2,1-2H3;2-5,12,29H,6-11H2,1H3;2*1H
• InChIKey: BJWODGQDLLAGBV-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 242.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1821.49
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 157372048) is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CCOc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)cc1OCC.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1cc(O)ccc1F)CC2.CN1CCn2c(Cl)ccc2C12CCN(C(=O)c1ccc(COc3ccccc3)cc1)CC2.CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)cc1.[H][H].[H][H].

What is the InChIKey of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is BJWODGQDLLAGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2.C25H33N3O4.C21H24F4N4O3S.C21H21F4N3O3.2H2/c1-28-17-18-30-23(11-12-24(30)27)26(28)13-15-29(16-14-26)25(31)21-9-7-20(8-10-21)19-32-22-5-3-2-4-6-22;1-5-31-21-9-7-19(17-22(21)32-6-2)24(30)27-13-11-25(12-14-27)23-10-8-20(18(3)29)28(23)16-15-26(25)4;1-26-33(31,32)15-5-3-14(4-6-15)19(30)28-9-7-20(8-10-28)18-16(22)13-17(21(23,24)25)29(18)12-11-27(20)2;1-26-10-11-28-16(18(30)21(23,24)25)4-5-17(28)20(26)6-8-27(9-7-20)19(31)14-12-13(29)2-3-15(14)22;;/h2-12H,13-19H2,1H3;7-10,17H,5-6,11-16H2,1-4H3;3-6,13,26H,7-12H2,1-2H3;2-5,12,29H,6-11H2,1H3;2*1H.

What are the key properties of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1821.49 g/mol, XLogP of 14.64, 15 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(phenoxymethyl)phenyl]methanone;1-[1'-(3,4-diethoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;4-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-methylbenzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 157372048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).