3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

C130H153F7N22O10 — CID 160969172

About 3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 160969172) has the molecular formula C130H153F7N22O10 and a molecular weight of 2316.78 g/mol. Its IUPAC name is 3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

• Compound Name: 3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
• PubChem CID: 160969172
• Molecular Formula: C130H153F7N22O10
• Molecular Weight: 2316.78 g/mol
• Exact Mass: 2315.20
• IUPAC Name: 3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
• SMILES: Cc1ccc(-c2ccccc2)n1CC1CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1ccccc1F)C1CCN(Cc2ncc[nH]c2=O)CC1.O=c1[nH]ccnc1CN1CCC(/C=C/c2cccc(F)c2)CC1.O=c1[nH]ccnc1CN1CCC(C(O)Cc2ccccc2F)CC1.O=c1[nH]ccnc1CN1CCC(CC(F)c2ccccc2F)CC1.O=c1[nH]ccnc1CN1CCC(CCc2ccccc2F)CC1.O=c1nccc(CCN2CCC(COc3ccccc3F)CC2)[nH]1
• InChI: InChI=1S/C22H26N4O.C18H21F2N3O.2C18H22FN3O2.C18H20FN3O2.C18H20FN3O.C18H22FN3O/c1-17-7-8-21(19-5-3-2-4-6-19)26(17)15-18-9-13-25(14-10-18)16-20-22(27)24-12-11-23-20;19-15-4-2-1-3-14(15)16(20)11-13-5-9-23(10-6-13)12-17-18(24)22-8-7-21-17;19-16-3-1-2-4-17(16)24-13-14-6-10-22(11-7-14)12-8-15-5-9-20-18(23)21-15;2*19-15-4-2-1-3-14(15)11-17(23)13-5-9-22(10-6-13)12-16-18(24)21-8-7-20-16;19-16-3-1-2-15(12-16)5-4-14-6-10-22(11-7-14)13-17-18(23)21-9-8-20-17;19-16-4-2-1-3-15(16)6-5-14-7-11-22(12-8-14)13-17-18(23)21-10-9-20-17/h2-8,11-12,18H,9-10,13-16H2,1H3,(H,24,27);1-4,7-8,13,16H,5-6,9-12H2,(H,22,24);1-5,9,14H,6-8,10-13H2,(H,20,21,23);1-4,7-8,13,17,23H,5-6,9-12H2,(H,21,24);1-4,7-8,13H,5-6,9-12H2,(H,21,24);1-5,8-9,12,14H,6-7,10-11,13H2,(H,21,23);1-4,9-10,14H,5-8,11-13H2,(H,21,23)/b;;;;;5-4+
• InChIKey: SYAMTMPRWXJBBU-HPSYIYHHSA-N
• XLogP: 18.17
• TPSA: 394.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2316.78
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?

The IUPAC name of 3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 160969172) is 3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

What is the SMILES notation for 3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?

The canonical SMILES for 3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is Cc1ccc(-c2ccccc2)n1CC1CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1ccccc1F)C1CCN(Cc2ncc[nH]c2=O)CC1.O=c1[nH]ccnc1CN1CCC(/C=C/c2cccc(F)c2)CC1.O=c1[nH]ccnc1CN1CCC(C(O)Cc2ccccc2F)CC1.O=c1[nH]ccnc1CN1CCC(CC(F)c2ccccc2F)CC1.O=c1[nH]ccnc1CN1CCC(CCc2ccccc2F)CC1.O=c1nccc(CCN2CCC(COc3ccccc3F)CC2)[nH]1.

What is the InChIKey of 3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?

The InChIKey is SYAMTMPRWXJBBU-HPSYIYHHSA-N. The full InChI is InChI=1S/C22H26N4O.C18H21F2N3O.2C18H22FN3O2.C18H20FN3O2.C18H20FN3O.C18H22FN3O/c1-17-7-8-21(19-5-3-2-4-6-19)26(17)15-18-9-13-25(14-10-18)16-20-22(27)24-12-11-23-20;19-15-4-2-1-3-14(15)16(20)11-13-5-9-23(10-6-13)12-17-18(24)22-8-7-21-17;19-16-3-1-2-4-17(16)24-13-14-6-10-22(11-7-14)12-8-15-5-9-20-18(23)21-15;2*19-15-4-2-1-3-14(15)11-17(23)13-5-9-22(10-6-13)12-16-18(24)21-8-7-20-16;19-16-3-1-2-15(12-16)5-4-14-6-10-22(11-7-14)13-17-18(23)21-9-8-20-17;19-16-4-2-1-3-15(16)6-5-14-7-11-22(12-8-14)13-17-18(23)21-10-9-20-17/h2-8,11-12,18H,9-10,13-16H2,1H3,(H,24,27);1-4,7-8,13,16H,5-6,9-12H2,(H,22,24);1-5,9,14H,6-8,10-13H2,(H,20,21,23);1-4,7-8,13,17,23H,5-6,9-12H2,(H,21,24);1-4,7-8,13H,5-6,9-12H2,(H,21,24);1-5,8-9,12,14H,6-7,10-11,13H2,(H,21,23);1-4,9-10,14H,5-8,11-13H2,(H,21,23)/b;;;;;5-4+;.

What are the key properties of 3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?

3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 2316.78 g/mol, XLogP of 18.17, 35 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 160969172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).