2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide
C172H234F2N22O19 — CID 158836392
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide
SMILESCC(=O)C(c1ccc(O)cc1)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)CN1CCC(C(=O)NCCCCCc2ccccn2)CC1.CC(=O)CN1CCC(C(=O)NCCCc2ccc3c(n2)CCCC3)C(F)(F)C1.CC(=O)c1ccc(C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)CCCC4)CC2)cc1.CCCC(=O)c1cccc(CC(C(C)=O)N2CCC(C(=O)CCCCc3ccc4c(n3)NCCC4)CC2)c1.CCc1cccc(CCCNC(=O)C2CCN(CC(C)=O)CC2)n1.Cc1ccc(C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)CCCC4)CC2)cn1
InChIInChI=1S/C32H43N3O3.C28H35N3O4.C27H35N3O3.C26H34N4O3.C21H29F2N3O2.2C19H29N3O2/c1-3-8-30(37)27-10-6-9-24(21-27)22-29(23(2)36)35-19-16-25(17-20-35)31(38)13-5-4-12-28-15-14-26-11-7-18-33-32(26)34-28;1-19(32)20-8-10-22(11-9-20)26(28(34)35)31-17-14-23(15-18-31)27(33)29-16-4-6-24-13-12-21-5-2-3-7-25(21)30-24;1-19(31)26(21-9-12-24(32)13-10-21)30-17-14-20(15-18-30)25(33)7-3-2-6-23-11-8-22-5-4-16-28-27(22)29-23;1-18-8-9-21(17-28-18)24(26(32)33)30-15-12-20(13-16-30)25(31)27-14-4-6-22-11-10-19-5-2-3-7-23(19)29-22;1-15(27)13-26-12-10-18(21(22,23)14-26)20(28)24-11-4-6-17-9-8-16-5-2-3-7-19(16)25-17;1-16(23)15-22-13-9-17(10-14-22)19(24)21-12-5-2-3-7-18-8-4-6-11-20-18;1-3-17-6-4-7-18(21-17)8-5-11-20-19(24)16-9-12-22(13-10-16)14-15(2)23/h6,9-10,14-15,21,25,29H,3-5,7-8,11-13,16-20,22H2,1-2H3,(H,33,34);8-13,23,26H,2-7,14-18H2,1H3,(H,29,33)(H,34,35);8-13,20,26,32H,2-7,14-18H2,1H3,(H,28,29);8-11,17,20,24H,2-7,12-16H2,1H3,(H,27,31)(H,32,33);8-9,18H,2-7,10-14H2,1H3,(H,24,28);4,6,8,11,17H,2-3,5,7,9-10,12-15H2,1H3,(H,21,24);4,6-7,16H,3,5,8-14H2,1-2H3,(H,20,24)
InChIKeyIXRPMXFRLNJECL-UHFFFAOYSA-N
MW2951.89 g/mol
LogP23.85
Rot. Bonds63
About 2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide
2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide (PubChem CID 158836392) has the molecular formula C172H234F2N22O19 and a molecular weight of 2951.89 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide.
Molecular Properties
| Compound Name | 2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide |
|---|---|
| PubChem CID | 158836392 |
| Molecular Formula | C172H234F2N22O19 |
| Molecular Weight | 2951.89 g/mol |
| Exact Mass | 2949.80 |
| IUPAC Name | 2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide |
| SMILES | CC(=O)C(c1ccc(O)cc1)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)CN1CCC(C(=O)NCCCCCc2ccccn2)CC1.CC(=O)CN1CCC(C(=O)NCCCc2ccc3c(n2)CCCC3)C(F)(F)C1.CC(=O)c1ccc(C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)CCCC4)CC2)cc1.CCCC(=O)c1cccc(CC(C(C)=O)N2CCC(C(=O)CCCCc3ccc4c(n3)NCCC4)CC2)c1.CCc1cccc(CCCNC(=O)C2CCN(CC(C)=O)CC2)n1.Cc1ccc(C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)CCCC4)CC2)cn1 |
| InChI | InChI=1S/C32H43N3O3.C28H35N3O4.C27H35N3O3.C26H34N4O3.C21H29F2N3O2.2C19H29N3O2/c1-3-8-30(37)27-10-6-9-24(21-27)22-29(23(2)36)35-19-16-25(17-20-35)31(38)13-5-4-12-28-15-14-26-11-7-18-33-32(26)34-28;1-19(32)20-8-10-22(11-9-20)26(28(34)35)31-17-14-23(15-18-31)27(33)29-16-4-6-24-13-12-21-5-2-3-7-25(21)30-24;1-19(31)26(21-9-12-24(32)13-10-21)30-17-14-20(15-18-30)25(33)7-3-2-6-23-11-8-22-5-4-16-28-27(22)29-23;1-18-8-9-21(17-28-18)24(26(32)33)30-15-12-20(13-16-30)25(31)27-14-4-6-22-11-10-19-5-2-3-7-23(19)29-22;1-15(27)13-26-12-10-18(21(22,23)14-26)20(28)24-11-4-6-17-9-8-16-5-2-3-7-19(16)25-17;1-16(23)15-22-13-9-17(10-14-22)19(24)21-12-5-2-3-7-18-8-4-6-11-20-18;1-3-17-6-4-7-18(21-17)8-5-11-20-19(24)16-9-12-22(13-10-16)14-15(2)23/h6,9-10,14-15,21,25,29H,3-5,7-8,11-13,16-20,22H2,1-2H3,(H,33,34);8-13,23,26H,2-7,14-18H2,1H3,(H,29,33)(H,34,35);8-13,20,26,32H,2-7,14-18H2,1H3,(H,28,29);8-11,17,20,24H,2-7,12-16H2,1H3,(H,27,31)(H,32,33);8-9,18H,2-7,10-14H2,1H3,(H,24,28);4,6,8,11,17H,2-3,5,7,9-10,12-15H2,1H3,(H,21,24);4,6-7,16H,3,5,8-14H2,1-2H3,(H,20,24) |
| InChIKey | IXRPMXFRLNJECL-UHFFFAOYSA-N |
| XLogP | 23.85 |
| TPSA | 543.82 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 63 |
| Heavy Atoms | 215 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2951.89 |
| LogP ≤ 5 | 23.85 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 34 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide?
The IUPAC name of 2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide (CID 158836392) is 2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide is CC(=O)C(c1ccc(O)cc1)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.CC(=O)CN1CCC(C(=O)NCCCCCc2ccccn2)CC1.CC(=O)CN1CCC(C(=O)NCCCc2ccc3c(n2)CCCC3)C(F)(F)C1.CC(=O)c1ccc(C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)CCCC4)CC2)cc1.CCCC(=O)c1cccc(CC(C(C)=O)N2CCC(C(=O)CCCCc3ccc4c(n3)NCCC4)CC2)c1.CCc1cccc(CCCNC(=O)C2CCN(CC(C)=O)CC2)n1.Cc1ccc(C(C(=O)O)N2CCC(C(=O)NCCCc3ccc4c(n3)CCCC4)CC2)cn1.
What is the InChIKey of 2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide?
The InChIKey is IXRPMXFRLNJECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N3O3.C28H35N3O4.C27H35N3O3.C26H34N4O3.C21H29F2N3O2.2C19H29N3O2/c1-3-8-30(37)27-10-6-9-24(21-27)22-29(23(2)36)35-19-16-25(17-20-35)31(38)13-5-4-12-28-15-14-26-11-7-18-33-32(26)34-28;1-19(32)20-8-10-22(11-9-20)26(28(34)35)31-17-14-23(15-18-31)27(33)29-16-4-6-24-13-12-21-5-2-3-7-25(21)30-24;1-19(31)26(21-9-12-24(32)13-10-21)30-17-14-20(15-18-30)25(33)7-3-2-6-23-11-8-22-5-4-16-28-27(22)29-23;1-18-8-9-21(17-28-18)24(26(32)33)30-15-12-20(13-16-30)25(31)27-14-4-6-22-11-10-19-5-2-3-7-23(19)29-22;1-15(27)13-26-12-10-18(21(22,23)14-26)20(28)24-11-4-6-17-9-8-16-5-2-3-7-19(16)25-17;1-16(23)15-22-13-9-17(10-14-22)19(24)21-12-5-2-3-7-18-8-4-6-11-20-18;1-3-17-6-4-7-18(21-17)8-5-11-20-19(24)16-9-12-22(13-10-16)14-15(2)23/h6,9-10,14-15,21,25,29H,3-5,7-8,11-13,16-20,22H2,1-2H3,(H,33,34);8-13,23,26H,2-7,14-18H2,1H3,(H,29,33)(H,34,35);8-13,20,26,32H,2-7,14-18H2,1H3,(H,28,29);8-11,17,20,24H,2-7,12-16H2,1H3,(H,27,31)(H,32,33);8-9,18H,2-7,10-14H2,1H3,(H,24,28);4,6,8,11,17H,2-3,5,7,9-10,12-15H2,1H3,(H,21,24);4,6-7,16H,3,5,8-14H2,1-2H3,(H,20,24).
What are the key properties of 2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide?
2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide has a molecular weight of 2951.89 g/mol, XLogP of 23.85, 63 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;1-[1-[1-(4-hydroxyphenyl)-2-oxopropyl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide is sourced from PubChem (CID 158836392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158836392 — identifiers, structure, computed properties (public domain)
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