1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C99H121Cl2F7N12O13 — CID 158841231

About 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 158841231) has the molecular formula C99H121Cl2F7N12O13 and a molecular weight of 1891.02 g/mol. Its IUPAC name is 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 158841231
• Molecular Formula: C99H121Cl2F7N12O13
• Molecular Weight: 1891.02 g/mol
• Exact Mass: 1888.84
• IUPAC Name: 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C4CC4)n2CCN3C)cc1Cl.CN1CCn2c(C(=O)C(C)(C)C)ccc2C12CCN(C(=O)c1ccc(O)c(Cl)c1)CC2.COCCOc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1OC.Cc1cc(C(=O)N2CC[C@@]3(c4ccc(C(F)(F)F)n4CCN3C)[C@@H](F)C2)ccc1OC(C)C
• InChI: InChI=1S/C26H32ClN3O3.C25H30F3N3O5.C24H30ClN3O3.C24H29F4N3O2/c1-17(2)33-22-8-6-19(16-20(22)27)25(32)29-12-10-26(11-13-29)23-9-7-21(24(31)18-4-5-18)30(23)15-14-28(26)3;1-29-12-13-31-18(22(32)25(26,27)28)5-7-21(31)24(29)8-10-30(11-9-24)23(33)17-4-6-19(20(16-17)35-3)36-15-14-34-2;1-23(2,3)21(30)18-6-8-20-24(26(4)13-14-28(18)20)9-11-27(12-10-24)22(31)16-5-7-19(29)17(25)15-16;1-15(2)33-18-6-5-17(13-16(18)3)22(32)30-10-9-23(19(25)14-30)20-7-8-21(24(26,27)28)31(20)12-11-29(23)4/h6-9,16-18H,4-5,10-15H2,1-3H3;4-7,16H,8-15H2,1-3H3;5-8,15,29H,9-14H2,1-4H3;5-8,13,15,19H,9-12,14H2,1-4H3/t;;;19-,23-/m...0/s1
• InChIKey: IYGRTFINSKMIJB-GOAUENSJSA-N
• XLogP: 16.72
• TPSA: 231.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1891.02
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 158841231) is 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C4CC4)n2CCN3C)cc1Cl.CN1CCn2c(C(=O)C(C)(C)C)ccc2C12CCN(C(=O)c1ccc(O)c(Cl)c1)CC2.COCCOc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1OC.Cc1cc(C(=O)N2CC[C@@]3(c4ccc(C(F)(F)F)n4CCN3C)[C@@H](F)C2)ccc1OC(C)C.

What is the InChIKey of 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is IYGRTFINSKMIJB-GOAUENSJSA-N. The full InChI is InChI=1S/C26H32ClN3O3.C25H30F3N3O5.C24H30ClN3O3.C24H29F4N3O2/c1-17(2)33-22-8-6-19(16-20(22)27)25(32)29-12-10-26(11-13-29)23-9-7-21(24(31)18-4-5-18)30(23)15-14-28(26)3;1-29-12-13-31-18(22(32)25(26,27)28)5-7-21(31)24(29)8-10-30(11-9-24)23(33)17-4-6-19(20(16-17)35-3)36-15-14-34-2;1-23(2,3)21(30)18-6-8-20-24(26(4)13-14-28(18)20)9-11-27(12-10-24)22(31)16-5-7-19(29)17(25)15-16;1-15(2)33-18-6-5-17(13-16(18)3)22(32)30-10-9-23(19(25)14-30)20-7-8-21(24(26,27)28)31(20)12-11-29(23)4/h6-9,16-18H,4-5,10-15H2,1-3H3;4-7,16H,8-15H2,1-3H3;5-8,15,29H,9-14H2,1-4H3;5-8,13,15,19H,9-12,14H2,1-4H3/t;;;19-,23-/m...0/s1.

What are the key properties of 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1891.02 g/mol, XLogP of 16.72, 17 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[(1R,3'S)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(2-methoxyethoxy)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 158841231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).