6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide

C32H37N3O5 — CID 142941872

About 6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide

6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide (PubChem CID 142941872) has the molecular formula C32H37N3O5 and a molecular weight of 543.66 g/mol. Its IUPAC name is 6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide.

Molecular Properties

• Compound Name: 6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
• PubChem CID: 142941872
• Molecular Formula: C32H37N3O5
• Molecular Weight: 543.66 g/mol
• Exact Mass: 543.27
• IUPAC Name: 6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
• SMILES: CC(C)(C)c1ccc2oc(C(=O)NCC(=O)N3CCC(c4ccccc4CN4CCCC4=O)CC3)cc(=O)c2c1
• InChI: InChI=1S/C32H37N3O5/c1-32(2,3)23-10-11-27-25(17-23)26(36)18-28(40-27)31(39)33-19-30(38)34-15-12-21(13-16-34)24-8-5-4-7-22(24)20-35-14-6-9-29(35)37/h4-5,7-8,10-11,17-18,21H,6,9,12-16,19-20H2,1-3H3,(H,33,39)
• InChIKey: AMGPYJLRVIZBQH-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 99.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.66
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide?

The IUPAC name of 6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide (CID 142941872) is 6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide.

What is the SMILES notation for 6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide?

The canonical SMILES for 6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide is CC(C)(C)c1ccc2oc(C(=O)NCC(=O)N3CCC(c4ccccc4CN4CCCC4=O)CC3)cc(=O)c2c1.

What is the InChIKey of 6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide?

The InChIKey is AMGPYJLRVIZBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O5/c1-32(2,3)23-10-11-27-25(17-23)26(36)18-28(40-27)31(39)33-19-30(38)34-15-12-21(13-16-34)24-8-5-4-7-22(24)20-35-14-6-9-29(35)37/h4-5,7-8,10-11,17-18,21H,6,9,12-16,19-20H2,1-3H3,(H,33,39).

What are the key properties of 6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide?

6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide has a molecular weight of 543.66 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide is sourced from PubChem (CID 142941872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).