8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide

C36H35Cl2N3O5 — CID 58768365

About 8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide

8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide (PubChem CID 58768365) has the molecular formula C36H35Cl2N3O5 and a molecular weight of 660.60 g/mol. Its IUPAC name is 8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: 8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide
• PubChem CID: 58768365
• Molecular Formula: C36H35Cl2N3O5
• Molecular Weight: 660.60 g/mol
• Exact Mass: 659.20
• IUPAC Name: 8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide
• SMILES: O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2CN2CCCCC2=O)CC1)c1cc(=O)c2cccc(Cl)c2o1
• InChI: InChI=1S/C36H35Cl2N3O5/c37-26-13-11-23(12-14-26)20-30(39-35(44)32-21-31(42)28-8-5-9-29(38)34(28)46-32)36(45)40-18-15-24(16-19-40)27-7-2-1-6-25(27)22-41-17-4-3-10-33(41)43/h1-2,5-9,11-14,21,24,30H,3-4,10,15-20,22H2,(H,39,44)/t30-/m1/s1
• InChIKey: DULRFZBXLKXRAI-SSEXGKCCSA-N
• XLogP: 6.36
• TPSA: 99.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.60
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide?

The IUPAC name of 8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide (CID 58768365) is 8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide.

What is the SMILES notation for 8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide?

The canonical SMILES for 8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide is O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2CN2CCCCC2=O)CC1)c1cc(=O)c2cccc(Cl)c2o1.

What is the InChIKey of 8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide?

The InChIKey is DULRFZBXLKXRAI-SSEXGKCCSA-N. The full InChI is InChI=1S/C36H35Cl2N3O5/c37-26-13-11-23(12-14-26)20-30(39-35(44)32-21-31(42)28-8-5-9-29(38)34(28)46-32)36(45)40-18-15-24(16-19-40)27-7-2-1-6-25(27)22-41-17-4-3-10-33(41)43/h1-2,5-9,11-14,21,24,30H,3-4,10,15-20,22H2,(H,39,44)/t30-/m1/s1.

What are the key properties of 8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide?

8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide has a molecular weight of 660.60 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 58768365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).