7-hydroxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide

C28H29N3O6 — CID 142942043

About 7-hydroxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide

7-hydroxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide (PubChem CID 142942043) has the molecular formula C28H29N3O6 and a molecular weight of 503.56 g/mol. Its IUPAC name is 7-hydroxy-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: 7-hydroxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
• PubChem CID: 142942043
• Molecular Formula: C28H29N3O6
• Molecular Weight: 503.56 g/mol
• Exact Mass: 503.21
• IUPAC Name: 7-hydroxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide
• SMILES: O=C(NCC(=O)N1CCC(c2ccccc2CN2CCCC2=O)CC1)c1cc(=O)c2ccc(O)cc2o1
• InChI: InChI=1S/C28H29N3O6/c32-20-7-8-22-23(33)15-25(37-24(22)14-20)28(36)29-16-27(35)30-12-9-18(10-13-30)21-5-2-1-4-19(21)17-31-11-3-6-26(31)34/h1-2,4-5,7-8,14-15,18,32H,3,6,9-13,16-17H2,(H,29,36)
• InChIKey: YUJVAHKDACWIHT-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 120.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.56
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-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 7-hydroxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide (CID 142942043) is 7-hydroxy-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 7-hydroxy-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 7-hydroxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide is O=C(NCC(=O)N1CCC(c2ccccc2CN2CCCC2=O)CC1)c1cc(=O)c2ccc(O)cc2o1.

What is the InChIKey of 7-hydroxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide?

The InChIKey is YUJVAHKDACWIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O6/c32-20-7-8-22-23(33)15-25(37-24(22)14-20)28(36)29-16-27(35)30-12-9-18(10-13-30)21-5-2-1-4-19(21)17-31-11-3-6-26(31)34/h1-2,4-5,7-8,14-15,18,32H,3,6,9-13,16-17H2,(H,29,36).

What are the key properties of 7-hydroxy-4-oxo-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]chromene-2-carboxamide?

7-hydroxy-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 503.56 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-hydroxy-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 142942043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).