1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one

C29H36N6O4 — CID 141370633

About 1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one

1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 141370633) has the molecular formula C29H36N6O4 and a molecular weight of 532.65 g/mol. Its IUPAC name is 1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
• PubChem CID: 141370633
• Molecular Formula: C29H36N6O4
• Molecular Weight: 532.65 g/mol
• Exact Mass: 532.28
• IUPAC Name: 1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
• SMILES: CC(=O)N1CCN(c2cc(C3CC(C)(C)NC3=O)ccc2C(=O)N2CCN(c3ncc(C)cc3C)CC2)C1=O
• InChI: InChI=1S/C29H36N6O4/c1-18-14-19(2)25(30-17-18)32-8-10-33(11-9-32)27(38)22-7-6-21(23-16-29(4,5)31-26(23)37)15-24(22)35-13-12-34(20(3)36)28(35)39/h6-7,14-15,17,23H,8-13,16H2,1-5H3,(H,31,37)
• InChIKey: YLSGNFDVLPLWCE-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 106.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.65
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?

The IUPAC name of 1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one (CID 141370633) is 1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one.

What is the SMILES notation for 1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?

The canonical SMILES for 1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one is CC(=O)N1CCN(c2cc(C3CC(C)(C)NC3=O)ccc2C(=O)N2CCN(c3ncc(C)cc3C)CC2)C1=O.

What is the InChIKey of 1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?

The InChIKey is YLSGNFDVLPLWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O4/c1-18-14-19(2)25(30-17-18)32-8-10-33(11-9-32)27(38)22-7-6-21(23-16-29(4,5)31-26(23)37)15-24(22)35-13-12-34(20(3)36)28(35)39/h6-7,14-15,17,23H,8-13,16H2,1-5H3,(H,31,37).

What are the key properties of 1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?

1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 532.65 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-3-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 141370633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).