1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide

C22H36N4O4 — CID 108552376

About 1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide

1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 108552376) has the molecular formula C22H36N4O4 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
• PubChem CID: 108552376
• Molecular Formula: C22H36N4O4
• Molecular Weight: 420.55 g/mol
• Exact Mass: 420.27
• IUPAC Name: 1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
• SMILES: CC(C)N1CC(C(=O)N2CCC(NC(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)CC1=O
• InChI: InChI=1S/C22H36N4O4/c1-14(2)25-12-16(11-18(25)27)21(30)24-8-6-17(7-9-24)23-20(29)15-10-19(28)26(13-15)22(3,4)5/h14-17H,6-13H2,1-5H3,(H,23,29)
• InChIKey: QZGZFQBJWXKFQN-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.55
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide (CID 108552376) is 1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)N2CCC(NC(=O)C3CC(=O)N(C(C)(C)C)C3)CC2)CC1=O.

What is the InChIKey of 1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?

The InChIKey is QZGZFQBJWXKFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O4/c1-14(2)25-12-16(11-18(25)27)21(30)24-8-6-17(7-9-24)23-20(29)15-10-19(28)26(13-15)22(3,4)5/h14-17H,6-13H2,1-5H3,(H,23,29).

What are the key properties of 1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?

1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 420.55 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 108552376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).