4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one

C145H128F7N15O13 — CID 163564158

About 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one

4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one (PubChem CID 163564158) has the molecular formula C145H128F7N15O13 and a molecular weight of 2421.70 g/mol. Its IUPAC name is 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one
• PubChem CID: 163564158
• Molecular Formula: C145H128F7N15O13
• Molecular Weight: 2421.70 g/mol
• Exact Mass: 2419.97
• IUPAC Name: 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one
• SMILES: CN1Cc2cc(-c3cccc4nc(C(=O)N5CCCCC5)ccc34)ccc2C1=O.CN1Cc2cc(-c3cncc4cc(C(=O)N5CCCCC5)ccc34)ccc2C1=O.C[C@H]1CCCN(C(=O)c2ccc3c(-c4cnc5c(c4)CN(C)C5=O)cccc3c2)C1.O=C(O)c1ccc(-c2cccc3cc(C(=O)N4CCC(F)(F)CC4)ccc23)cc1F.O=C(c1ccc2c(-c3ccc4c(ccc[n+]4[O-])c3)cccc2c1)N1CCC(F)(F)CC1.O=C(c1ccc2c(-c3cnc4c(=O)[nH]ccc4c3)cccc2c1)N1CCC(F)(F)CC1
• InChI: InChI=1S/C25H20F2N2O2.C25H25N3O2.C24H19F2N3O2.2C24H23N3O2.C23H18F3NO3/c26-25(27)10-13-28(14-11-25)24(30)20-6-8-22-17(16-20)3-1-5-21(22)18-7-9-23-19(15-18)4-2-12-29(23)31;1-16-5-4-10-28(14-16)24(29)18-8-9-22-17(11-18)6-3-7-21(22)19-12-20-15-27(2)25(30)23(20)26-13-19;25-24(26)7-10-29(11-8-24)23(31)17-4-5-20-15(12-17)2-1-3-19(20)18-13-16-6-9-27-22(30)21(16)28-14-18;1-26-15-19-11-16(5-8-21(19)24(26)29)22-14-25-13-18-12-17(6-7-20(18)22)23(28)27-9-3-2-4-10-27;1-26-15-17-14-16(8-9-19(17)23(26)28)18-6-5-7-21-20(18)10-11-22(25-21)24(29)27-12-3-2-4-13-27;24-20-13-15(4-7-19(20)22(29)30)17-3-1-2-14-12-16(5-6-18(14)17)21(28)27-10-8-23(25,26)9-11-27/h1-9,12,15-16H,10-11,13-14H2;3,6-9,11-13,16H,4-5,10,14-15H2,1-2H3;1-6,9,12-14H,7-8,10-11H2,(H,27,30);5-8,11-14H,2-4,9-10,15H2,1H3;5-11,14H,2-4,12-13,15H2,1H3;1-7,12-13H,8-11H2,(H,29,30)/t;16-;;;;/m.0..../s1
• InChIKey: FTTSXYCPLIYOMI-NKLKMKEXSA-N
• XLogP: 27.58
• TPSA: 331.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2421.70
LogP ≤ 5	27.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one?

The IUPAC name of 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one (CID 163564158) is 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one.

What is the SMILES notation for 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one?

The canonical SMILES for 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one is CN1Cc2cc(-c3cccc4nc(C(=O)N5CCCCC5)ccc34)ccc2C1=O.CN1Cc2cc(-c3cncc4cc(C(=O)N5CCCCC5)ccc34)ccc2C1=O.C[C@H]1CCCN(C(=O)c2ccc3c(-c4cnc5c(c4)CN(C)C5=O)cccc3c2)C1.O=C(O)c1ccc(-c2cccc3cc(C(=O)N4CCC(F)(F)CC4)ccc23)cc1F.O=C(c1ccc2c(-c3ccc4c(ccc[n+]4[O-])c3)cccc2c1)N1CCC(F)(F)CC1.O=C(c1ccc2c(-c3cnc4c(=O)[nH]ccc4c3)cccc2c1)N1CCC(F)(F)CC1.

What is the InChIKey of 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one?

The InChIKey is FTTSXYCPLIYOMI-NKLKMKEXSA-N. The full InChI is InChI=1S/C25H20F2N2O2.C25H25N3O2.C24H19F2N3O2.2C24H23N3O2.C23H18F3NO3/c26-25(27)10-13-28(14-11-25)24(30)20-6-8-22-17(16-20)3-1-5-21(22)18-7-9-23-19(15-18)4-2-12-29(23)31;1-16-5-4-10-28(14-16)24(29)18-8-9-22-17(11-18)6-3-7-21(22)19-12-20-15-27(2)25(30)23(20)26-13-19;25-24(26)7-10-29(11-8-24)23(31)17-4-5-20-15(12-17)2-1-3-19(20)18-13-16-6-9-27-22(30)21(16)28-14-18;1-26-15-19-11-16(5-8-21(19)24(26)29)22-14-25-13-18-12-17(6-7-20(18)22)23(28)27-9-3-2-4-10-27;1-26-15-17-14-16(8-9-19(17)23(26)28)18-6-5-7-21-20(18)10-11-22(25-21)24(29)27-12-3-2-4-13-27;24-20-13-15(4-7-19(20)22(29)30)17-3-1-2-14-12-16(5-6-18(14)17)21(28)27-10-8-23(25,26)9-11-27/h1-9,12,15-16H,10-11,13-14H2;3,6-9,11-13,16H,4-5,10,14-15H2,1-2H3;1-6,9,12-14H,7-8,10-11H2,(H,27,30);5-8,11-14H,2-4,9-10,15H2,1H3;5-11,14H,2-4,12-13,15H2,1H3;1-7,12-13H,8-11H2,(H,29,30)/t;16-;;;;/m.0..../s1.

What are the key properties of 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one?

4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one has a molecular weight of 2421.70 g/mol, XLogP of 27.58, 13 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one is sourced from PubChem (CID 163564158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).