N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide

C36H37ClN4O7 — CID 58733136

About N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide (PubChem CID 58733136) has the molecular formula C36H37ClN4O7 and a molecular weight of 673.17 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide
• PubChem CID: 58733136
• Molecular Formula: C36H37ClN4O7
• Molecular Weight: 673.17 g/mol
• Exact Mass: 672.24
• IUPAC Name: N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide
• SMILES: COc1cc2oc(C(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)N3CCN(c4ccccc4C(=O)N4CCCCC4)CC3)cc(=O)c2cc1O
• InChI: InChI=1S/C36H37ClN4O7/c1-47-32-22-31-26(20-30(32)43)29(42)21-33(48-31)34(44)38-27(19-23-9-11-24(37)12-10-23)36(46)41-17-15-39(16-18-41)28-8-4-3-7-25(28)35(45)40-13-5-2-6-14-40/h3-4,7-12,20-22,27,43H,2,5-6,13-19H2,1H3,(H,38,44)/t27-/m1/s1
• InChIKey: OAUAKWTVHHPQKZ-HHHXNRCGSA-N
• XLogP: 4.48
• TPSA: 132.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	673.17
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?

The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide (CID 58733136) is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide.

What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?

The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide is COc1cc2oc(C(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)N3CCN(c4ccccc4C(=O)N4CCCCC4)CC3)cc(=O)c2cc1O.

What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?

The InChIKey is OAUAKWTVHHPQKZ-HHHXNRCGSA-N. The full InChI is InChI=1S/C36H37ClN4O7/c1-47-32-22-31-26(20-30(32)43)29(42)21-33(48-31)34(44)38-27(19-23-9-11-24(37)12-10-23)36(46)41-17-15-39(16-18-41)28-8-4-3-7-25(28)35(45)40-13-5-2-6-14-40/h3-4,7-12,20-22,27,43H,2,5-6,13-19H2,1H3,(H,38,44)/t27-/m1/s1.

What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide has a molecular weight of 673.17 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-6-hydroxy-7-methoxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 58733136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).