C171H199Cl13N18O7 — CID 158342671
2-chloro-N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]benzamide;3-[1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;3-[1-[1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]naphthalene-1-carboxamide;3-[1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;molecular hydrogen (PubChem CID 158342671) has the molecular formula C171H199Cl13N18O7 and a molecular weight of 3079.48 g/mol. Its IUPAC name is 2-chloro-N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]benzamide;3-[1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;3-[1-[1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]naphthalene-1-carboxamide;3-[1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;molecular hydrogen.
| Compound Name | 2-chloro-N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]benzamide;3-[1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;3-[1-[1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]naphthalene-1-carboxamide;3-[1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;molecular hydrogen |
|---|---|
| PubChem CID | 158342671 |
| Molecular Formula | C171H199Cl13N18O7 |
| Molecular Weight | 3079.48 g/mol |
| Exact Mass | 3071.17 |
| IUPAC Name | 2-chloro-N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]benzamide;3-[1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;3-[1-[1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;N-[[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]methyl]naphthalene-1-carboxamide;3-[1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;3-[1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-1-quinolin-6-ylpropan-1-one;molecular hydrogen |
| SMILES | CC1(N2CCCC(CCC(=O)c3ccc4ncccc4c3)C2)CCN(Cc2ccc(Cl)c(Cl)c2)CC1.O=C(CCC1CCCN(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1.O=C(CCC1CCCN(C2CCN(Cc3cc(Cl)ccc3Cl)CC2)C1)c1ccc2ncccc2c1.O=C(CCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1.O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cccc2ccccc12.O=C(NCC1CCCN(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccccc1Cl.[H][H].[H][H] |
| InChI | InChI=1S/C30H35Cl2N3O.C29H31Cl2N3O2.3C29H33Cl2N3O.C25H30Cl3N3O.2H2/c1-30(12-16-34(17-13-30)20-23-6-9-26(31)27(32)18-23)35-15-3-4-22(21-35)7-11-29(36)25-8-10-28-24(19-25)5-2-14-33-28;30-25-8-6-23(18-26(25)31)29(36)33-15-11-24(12-16-33)34-14-2-3-20(19-34)5-10-28(35)22-7-9-27-21(17-22)4-1-13-32-27;30-25-7-8-27(31)24(18-25)20-33-15-11-26(12-16-33)34-14-2-3-21(19-34)5-10-29(35)23-6-9-28-22(17-23)4-1-13-32-28;30-26-8-5-22(17-27(26)31)19-33-15-11-25(12-16-33)34-14-2-3-21(20-34)6-10-29(35)24-7-9-28-23(18-24)4-1-13-32-28;30-27-11-10-21(17-28(27)31)19-33-15-12-24(13-16-33)34-14-4-5-22(20-34)18-32-29(35)26-9-3-7-23-6-1-2-8-25(23)26;26-22-6-2-1-5-21(22)25(32)29-15-19-4-3-11-31(17-19)20-9-12-30(13-10-20)16-18-7-8-23(27)24(28)14-18;;/h2,5-6,8-10,14,18-19,22H,3-4,7,11-13,15-17,20-21H2,1H3;1,4,6-9,13,17-18,20,24H,2-3,5,10-12,14-16,19H2;1,4,6-9,13,17-18,21,26H,2-3,5,10-12,14-16,19-20H2;1,4-5,7-9,13,17-18,21,25H,2-3,6,10-12,14-16,19-20H2;1-3,6-11,17,22,24H,4-5,12-16,18-20H2,(H,32,35);1-2,5-8,14,19-20H,3-4,9-13,15-17H2,(H,29,32);2*1H |
| InChIKey | GRIRJKUOEYIQHC-UHFFFAOYSA-N |
| XLogP | 40.05 |
| TPSA | 233.99 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 209 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3079.48 |
| LogP ≤ 5 | 40.05 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 22 |