[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen

C85H98Cl6N10O7S — CID 160714751

About [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen

[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen (PubChem CID 160714751) has the molecular formula C85H98Cl6N10O7S and a molecular weight of 1616.57 g/mol. Its IUPAC name is [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen
• PubChem CID: 160714751
• Molecular Formula: C85H98Cl6N10O7S
• Molecular Weight: 1616.57 g/mol
• Exact Mass: 1612.55
• IUPAC Name: [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen
• SMILES: CO[C@@H]1CN(C2CCN(C(=O)c3cccc4cccnc34)CC2)CCC1Cc1ccc(Cl)c(Cl)c1.CO[C@@H]1CN(C2CCN(C(=O)c3ccnc4ccccc34)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1.CS(=O)(=O)NC[C@@H]1CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CCC1Cc1ccc(Cl)c(Cl)c1.[H][H]
• InChI: InChI=1S/C29H34Cl2N4O3S.2C28H31Cl2N3O2.H2/c1-39(37,38)33-18-24-19-35(12-8-21(24)15-20-4-6-26(30)27(31)16-20)25-9-13-34(14-10-25)29(36)23-5-7-28-22(17-23)3-2-11-32-28;1-35-26-18-33(13-9-21(26)16-19-7-8-24(29)25(30)17-19)22-10-14-32(15-11-22)28(34)23-6-2-4-20-5-3-12-31-27(20)23;1-35-27-18-33(13-9-20(27)16-19-6-7-24(29)25(30)17-19)21-10-14-32(15-11-21)28(34)23-8-12-31-26-5-3-2-4-22(23)26;/h2-7,11,16-17,21,24-25,33H,8-10,12-15,18-19H2,1H3;2-8,12,17,21-22,26H,9-11,13-16,18H2,1H3;2-8,12,17,20-21,27H,9-11,13-16,18H2,1H3;1H/t21?,24-;21?,26-;20-,27-;/m111./s1
• InChIKey: RSIBZFIORUEJBI-IDLPAJSKSA-N
• XLogP: 16.57
• TPSA: 173.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1616.57
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen?

The IUPAC name of [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen (CID 160714751) is [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen.

What is the SMILES notation for [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen?

The canonical SMILES for [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen is CO[C@@H]1CN(C2CCN(C(=O)c3cccc4cccnc34)CC2)CCC1Cc1ccc(Cl)c(Cl)c1.CO[C@@H]1CN(C2CCN(C(=O)c3ccnc4ccccc34)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1.CS(=O)(=O)NC[C@@H]1CN(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CCC1Cc1ccc(Cl)c(Cl)c1.[H][H].

What is the InChIKey of [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen?

The InChIKey is RSIBZFIORUEJBI-IDLPAJSKSA-N. The full InChI is InChI=1S/C29H34Cl2N4O3S.2C28H31Cl2N3O2.H2/c1-39(37,38)33-18-24-19-35(12-8-21(24)15-20-4-6-26(30)27(31)16-20)25-9-13-34(14-10-25)29(36)23-5-7-28-22(17-23)3-2-11-32-28;1-35-26-18-33(13-9-21(26)16-19-7-8-24(29)25(30)17-19)22-10-14-32(15-11-22)28(34)23-6-2-4-20-5-3-12-31-27(20)23;1-35-27-18-33(13-9-20(27)16-19-6-7-24(29)25(30)17-19)21-10-14-32(15-11-21)28(34)23-8-12-31-26-5-3-2-4-22(23)26;/h2-7,11,16-17,21,24-25,33H,8-10,12-15,18-19H2,1H3;2-8,12,17,21-22,26H,9-11,13-16,18H2,1H3;2-8,12,17,20-21,27H,9-11,13-16,18H2,1H3;1H/t21?,24-;21?,26-;20-,27-;/m111./s1.

What are the key properties of [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen?

[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen has a molecular weight of 1616.57 g/mol, XLogP of 16.57, 17 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone;[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-8-ylmethanone;N-[[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;molecular hydrogen is sourced from PubChem (CID 160714751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).