N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide

C37H39ClN4O7 — CID 58768354

About N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide (PubChem CID 58768354) has the molecular formula C37H39ClN4O7 and a molecular weight of 687.19 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide
• PubChem CID: 58768354
• Molecular Formula: C37H39ClN4O7
• Molecular Weight: 687.19 g/mol
• Exact Mass: 686.25
• IUPAC Name: N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide
• SMILES: COc1cc2oc(C(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)N3CCN(c4ccccc4CN4CCCCC4=O)CC3)cc(=O)c2cc1OC
• InChI: InChI=1S/C37H39ClN4O7/c1-47-32-20-27-30(43)21-34(49-31(27)22-33(32)48-2)36(45)39-28(19-24-10-12-26(38)13-11-24)37(46)41-17-15-40(16-18-41)29-8-4-3-7-25(29)23-42-14-6-5-9-35(42)44/h3-4,7-8,10-13,20-22,28H,5-6,9,14-19,23H2,1-2H3,(H,39,45)/t28-/m1/s1
• InChIKey: XHLSZVBDSIZNHF-MUUNZHRXSA-N
• XLogP: 4.67
• TPSA: 121.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	687.19
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide?

The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide (CID 58768354) is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide.

What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide?

The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide is COc1cc2oc(C(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)N3CCN(c4ccccc4CN4CCCCC4=O)CC3)cc(=O)c2cc1OC.

What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide?

The InChIKey is XHLSZVBDSIZNHF-MUUNZHRXSA-N. The full InChI is InChI=1S/C37H39ClN4O7/c1-47-32-20-27-30(43)21-34(49-31(27)22-33(32)48-2)36(45)39-28(19-24-10-12-26(38)13-11-24)37(46)41-17-15-40(16-18-41)29-8-4-3-7-25(29)23-42-14-6-5-9-35(42)44/h3-4,7-8,10-13,20-22,28H,5-6,9,14-19,23H2,1-2H3,(H,39,45)/t28-/m1/s1.

What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide?

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide has a molecular weight of 687.19 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 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-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-6,7-dimethoxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 58768354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).