[4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone

C29H52N4O2 — CID 138724229

About [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone

[4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone (PubChem CID 138724229) has the molecular formula C29H52N4O2 and a molecular weight of 488.76 g/mol. Its IUPAC name is [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone.

Molecular Properties

• Compound Name: [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone
• PubChem CID: 138724229
• Molecular Formula: C29H52N4O2
• Molecular Weight: 488.76 g/mol
• Exact Mass: 488.41
• IUPAC Name: [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone
• SMILES: CN1C(C)(C)CC(C(=O)N2CCC(C3CCN(C(=O)C4CC(C)(C)NC4(C)C)CC3)CC2)C1(C)C
• InChI: InChI=1S/C29H52N4O2/c1-26(2)18-22(28(5,6)30-26)24(34)32-14-10-20(11-15-32)21-12-16-33(17-13-21)25(35)23-19-27(3,4)31(9)29(23,7)8/h20-23,30H,10-19H2,1-9H3
• InChIKey: ALBCQXBEMVPVCP-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 55.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.76
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone?

The IUPAC name of [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone (CID 138724229) is [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone.

What is the SMILES notation for [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone?

The canonical SMILES for [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone is CN1C(C)(C)CC(C(=O)N2CCC(C3CCN(C(=O)C4CC(C)(C)NC4(C)C)CC3)CC2)C1(C)C.

What is the InChIKey of [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone?

The InChIKey is ALBCQXBEMVPVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H52N4O2/c1-26(2)18-22(28(5,6)30-26)24(34)32-14-10-20(11-15-32)21-12-16-33(17-13-21)25(35)23-19-27(3,4)31(9)29(23,7)8/h20-23,30H,10-19H2,1-9H3.

What are the key properties of [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone?

[4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone has a molecular weight of 488.76 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-(2,2,5,5-tetramethylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 138724229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).