N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-8-hydroxy-4-oxochromene-2-carboxamide

C35H35ClN4O6 — CID 58733124

About N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-8-hydroxy-4-oxochromene-2-carboxamide

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-8-hydroxy-4-oxochromene-2-carboxamide (PubChem CID 58733124) has the molecular formula C35H35ClN4O6 and a molecular weight of 643.14 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]-8-hydroxy-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]-8-hydroxy-4-oxochromene-2-carboxamide
• PubChem CID: 58733124
• Molecular Formula: C35H35ClN4O6
• Molecular Weight: 643.14 g/mol
• Exact Mass: 642.22
• IUPAC Name: N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-8-hydroxy-4-oxochromene-2-carboxamide
• SMILES: O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C(=O)N2CCCCC2)CC1)c1cc(=O)c2cccc(O)c2o1
• InChI: InChI=1S/C35H35ClN4O6/c36-24-13-11-23(12-14-24)21-27(37-33(43)31-22-30(42)26-8-6-10-29(41)32(26)46-31)35(45)40-19-17-38(18-20-40)28-9-3-2-7-25(28)34(44)39-15-4-1-5-16-39/h2-3,6-14,22,27,41H,1,4-5,15-21H2,(H,37,43)/t27-/m1/s1
• InChIKey: JUISLDBWINJJPN-HHHXNRCGSA-N
• XLogP: 4.47
• TPSA: 123.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	643.14
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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]-8-hydroxy-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]-8-hydroxy-4-oxochromene-2-carboxamide (CID 58733124) is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-8-hydroxy-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]-8-hydroxy-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]-8-hydroxy-4-oxochromene-2-carboxamide is O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C(=O)N2CCCCC2)CC1)c1cc(=O)c2cccc(O)c2o1.

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]-8-hydroxy-4-oxochromene-2-carboxamide?

The InChIKey is JUISLDBWINJJPN-HHHXNRCGSA-N. The full InChI is InChI=1S/C35H35ClN4O6/c36-24-13-11-23(12-14-24)21-27(37-33(43)31-22-30(42)26-8-6-10-29(41)32(26)46-31)35(45)40-19-17-38(18-20-40)28-9-3-2-7-25(28)34(44)39-15-4-1-5-16-39/h2-3,6-14,22,27,41H,1,4-5,15-21H2,(H,37,43)/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]-8-hydroxy-4-oxochromene-2-carboxamide?

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-(piperidine-1-carbonyl)phenyl]piperazin-1-yl]propan-2-yl]-8-hydroxy-4-oxochromene-2-carboxamide has a molecular weight of 643.14 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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]-8-hydroxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 58733124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).