N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-fluoro-4-oxochromene-2-carboxamide

C36H35ClFN3O5 — CID 58768110

About N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-fluoro-4-oxochromene-2-carboxamide

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-fluoro-4-oxochromene-2-carboxamide (PubChem CID 58768110) has the molecular formula C36H35ClFN3O5 and a molecular weight of 644.14 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-fluoro-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-fluoro-4-oxochromene-2-carboxamide
• PubChem CID: 58768110
• Molecular Formula: C36H35ClFN3O5
• Molecular Weight: 644.14 g/mol
• Exact Mass: 643.22
• IUPAC Name: N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-fluoro-4-oxochromene-2-carboxamide
• SMILES: O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2CN2CCCCC2=O)CC1)c1cc(=O)c2cc(F)ccc2o1
• InChI: InChI=1S/C36H35ClFN3O5/c37-26-10-8-23(9-11-26)19-30(39-35(44)33-21-31(42)29-20-27(38)12-13-32(29)46-33)36(45)40-17-14-24(15-18-40)28-6-2-1-5-25(28)22-41-16-4-3-7-34(41)43/h1-2,5-6,8-13,20-21,24,30H,3-4,7,14-19,22H2,(H,39,44)/t30-/m1/s1
• InChIKey: NSBXUBYYVALWFP-SSEXGKCCSA-N
• XLogP: 5.85
• 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	644.14
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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]piperidin-1-yl]propan-2-yl]-6-fluoro-4-oxochromene-2-carboxamide?

The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-fluoro-4-oxochromene-2-carboxamide (CID 58768110) is N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-fluoro-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]piperidin-1-yl]propan-2-yl]-6-fluoro-4-oxochromene-2-carboxamide?

The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-fluoro-4-oxochromene-2-carboxamide is O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2CN2CCCCC2=O)CC1)c1cc(=O)c2cc(F)ccc2o1.

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

The InChIKey is NSBXUBYYVALWFP-SSEXGKCCSA-N. The full InChI is InChI=1S/C36H35ClFN3O5/c37-26-10-8-23(9-11-26)19-30(39-35(44)33-21-31(42)29-20-27(38)12-13-32(29)46-33)36(45)40-17-14-24(15-18-40)28-6-2-1-5-25(28)22-41-16-4-3-7-34(41)43/h1-2,5-6,8-13,20-21,24,30H,3-4,7,14-19,22H2,(H,39,44)/t30-/m1/s1.

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

N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-fluoro-4-oxochromene-2-carboxamide has a molecular weight of 644.14 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 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]piperidin-1-yl]propan-2-yl]-6-fluoro-4-oxochromene-2-carboxamide is sourced from PubChem (CID 58768110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).