6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide

C29H29F2N3O5 — CID 142941975

About 6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide

6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide (PubChem CID 142941975) has the molecular formula C29H29F2N3O5 and a molecular weight of 537.56 g/mol. Its IUPAC name is 6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide.

Molecular Properties

• Compound Name: 6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
• PubChem CID: 142941975
• Molecular Formula: C29H29F2N3O5
• Molecular Weight: 537.56 g/mol
• Exact Mass: 537.21
• IUPAC Name: 6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
• SMILES: O=C(NCC(=O)N1CCC(c2ccccc2CN2CCCCC2=O)CC1)c1cc(=O)c2cc(F)cc(F)c2o1
• InChI: InChI=1S/C29H29F2N3O5/c30-20-13-22-24(35)15-25(39-28(22)23(31)14-20)29(38)32-16-27(37)33-11-8-18(9-12-33)21-6-2-1-5-19(21)17-34-10-4-3-7-26(34)36/h1-2,5-6,13-15,18H,3-4,7-12,16-17H2,(H,32,38)
• InChIKey: OEIFVSCPSVKFIM-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 99.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.56
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide?

The IUPAC name of 6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide (CID 142941975) is 6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide.

What is the SMILES notation for 6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide?

The canonical SMILES for 6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide is O=C(NCC(=O)N1CCC(c2ccccc2CN2CCCCC2=O)CC1)c1cc(=O)c2cc(F)cc(F)c2o1.

What is the InChIKey of 6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide?

The InChIKey is OEIFVSCPSVKFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N3O5/c30-20-13-22-24(35)15-25(39-28(22)23(31)14-20)29(38)32-16-27(37)33-11-8-18(9-12-33)21-6-2-1-5-19(21)17-34-10-4-3-7-26(34)36/h1-2,5-6,13-15,18H,3-4,7-12,16-17H2,(H,32,38).

What are the key properties of 6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide?

6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide has a molecular weight of 537.56 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-difluoro-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide is sourced from PubChem (CID 142941975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).