(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C72H79Cl4N13O9 — CID 164985933

About (2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 164985933) has the molecular formula C72H79Cl4N13O9 and a molecular weight of 1412.32 g/mol. Its IUPAC name is (2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• PubChem CID: 164985933
• Molecular Formula: C72H79Cl4N13O9
• Molecular Weight: 1412.32 g/mol
• Exact Mass: 1409.49
• IUPAC Name: (2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• SMILES: C[C@@H]1CC[C@@H](c2ccc(Cl)cc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@@H]1CC[C@@H](c2ccc(Cl)cc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@@H]1CC[C@@H](c2ccc(Cl)cc2)NC1.C[C@H]1CC[C@H](c2ccc(Cl)cc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1
• InChI: InChI=1S/3C20H21ClN4O3.C12H16ClN/c3*1-12-2-7-17(13-3-5-15(21)6-4-13)25(11-12)20(28)19(27)24-16-8-14(18(22)26)9-23-10-16;1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10/h3*3-6,8-10,12,17H,2,7,11H2,1H3,(H2,22,26)(H,24,27);3-6,9,12,14H,2,7-8H2,1H3/t3*12-,17+;9-,12+/m1101/s1
• InChIKey: GDUYLVSHJIMANY-RFJRHQSQSA-N
• XLogP: 11.72
• TPSA: 328.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1412.32
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The IUPAC name of (2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 164985933) is (2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for (2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The canonical SMILES for (2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is C[C@@H]1CC[C@@H](c2ccc(Cl)cc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@@H]1CC[C@@H](c2ccc(Cl)cc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.C[C@@H]1CC[C@@H](c2ccc(Cl)cc2)NC1.C[C@H]1CC[C@H](c2ccc(Cl)cc2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.

What is the InChIKey of (2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The InChIKey is GDUYLVSHJIMANY-RFJRHQSQSA-N. The full InChI is InChI=1S/3C20H21ClN4O3.C12H16ClN/c3*1-12-2-7-17(13-3-5-15(21)6-4-13)25(11-12)20(28)19(27)24-16-8-14(18(22)26)9-23-10-16;1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10/h3*3-6,8-10,12,17H,2,7,11H2,1H3,(H2,22,26)(H,24,27);3-6,9,12,14H,2,7-8H2,1H3/t3*12-,17+;9-,12+/m1101/s1.

What are the key properties of (2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 1412.32 g/mol, XLogP of 11.72, 10 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-2-(4-chlorophenyl)-5-methylpiperidine;bis(5-[[2-[(2S,5R)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2R,5S)-2-(4-chlorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 164985933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).