(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

C102H137Cl2N13O11S — CID 158894420

About (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (PubChem CID 158894420) has the molecular formula C102H137Cl2N13O11S and a molecular weight of 1824.27 g/mol. Its IUPAC name is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
• PubChem CID: 158894420
• Molecular Formula: C102H137Cl2N13O11S
• Molecular Weight: 1824.27 g/mol
• Exact Mass: 1821.97
• IUPAC Name: (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
• SMILES: CC(=O)c1ccc2n1CC(C)(C)NC21CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1.CCCCCc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1.CN1CCn2c(C(=O)C(C)(C)C)ccc2C12CCN(C(=O)c1ccc(S(=O)(=O)NC3CC3)cc1)CC2.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C4(C)CC4)n2CCN3C)cc1C.[H][H].[H][H]
• InChI: InChI=1S/C27H36N4O4S.C26H33N3O3.C25H32ClN3O3.C24H32ClN3O.2H2/c1-26(2,3)24(32)22-11-12-23-27(29(4)17-18-31(22)23)13-15-30(16-14-27)25(33)19-5-9-21(10-6-19)36(34,35)28-20-7-8-20;1-18-17-19(5-7-21(18)32-4)24(31)28-13-11-26(12-14-28)22-8-6-20(23(30)25(2)9-10-25)29(22)16-15-27(26)3;1-16(2)32-21-8-6-18(14-19(21)26)23(31)28-12-10-25(11-13-28)22-9-7-20(17(3)30)29(22)15-24(4,5)27-25;1-3-4-5-6-19-7-9-20(10-8-19)23(29)27-15-13-24(14-16-27)21-11-12-22(25)28(21)18-17-26(24)2;;/h5-6,9-12,20,28H,7-8,13-18H2,1-4H3;5-8,17H,9-16H2,1-4H3;6-9,14,16,27H,10-13,15H2,1-5H3;7-12H,3-6,13-18H2,1-2H3;2*1H
• InChIKey: JEQRGIWSZWEKKY-UHFFFAOYSA-N
• XLogP: 17.19
• TPSA: 238.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1824.27
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The IUPAC name of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (CID 158894420) is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.

What is the SMILES notation for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The canonical SMILES for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is CC(=O)c1ccc2n1CC(C)(C)NC21CCN(C(=O)c2ccc(OC(C)C)c(Cl)c2)CC1.CCCCCc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1.CN1CCn2c(C(=O)C(C)(C)C)ccc2C12CCN(C(=O)c1ccc(S(=O)(=O)NC3CC3)cc1)CC2.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C4(C)CC4)n2CCN3C)cc1C.[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-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The InChIKey is JEQRGIWSZWEKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4S.C26H33N3O3.C25H32ClN3O3.C24H32ClN3O.2H2/c1-26(2,3)24(32)22-11-12-23-27(29(4)17-18-31(22)23)13-15-30(16-14-27)25(33)19-5-9-21(10-6-19)36(34,35)28-20-7-8-20;1-18-17-19(5-7-21(18)32-4)24(31)28-13-11-26(12-14-28)22-8-6-20(23(30)25(2)9-10-25)29(22)16-15-27(26)3;1-16(2)32-21-8-6-18(14-19(21)26)23(31)28-12-10-25(11-13-28)22-9-7-20(17(3)30)29(22)15-24(4,5)27-25;1-3-4-5-6-19-7-9-20(10-8-19)23(29)27-15-13-24(14-16-27)21-11-12-22(25)28(21)18-17-26(24)2;;/h5-6,9-12,20,28H,7-8,13-18H2,1-4H3;5-8,17H,9-16H2,1-4H3;6-9,14,16,27H,10-13,15H2,1-5H3;7-12H,3-6,13-18H2,1-2H3;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-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen has a molecular weight of 1824.27 g/mol, XLogP of 17.19, 18 rotatable bonds, 2 hydrogen bond donors, and 19 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-pentylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;N-cyclopropyl-4-[6-(2,2-dimethylpropanoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;(4-methoxy-3-methylphenyl)-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is sourced from PubChem (CID 158894420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).