3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one

C24H30N4O2 — CID 141370646

About 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one

3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one (PubChem CID 141370646) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one
• PubChem CID: 141370646
• Molecular Formula: C24H30N4O2
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.24
• IUPAC Name: 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one
• SMILES: Cc1cnc(N2CCN(C(=O)c3ccc(C4CC(C)(C)NC4=O)cc3)CC2)c(C)c1
• InChI: InChI=1S/C24H30N4O2/c1-16-13-17(2)21(25-15-16)27-9-11-28(12-10-27)23(30)19-7-5-18(6-8-19)20-14-24(3,4)26-22(20)29/h5-8,13,15,20H,9-12,14H2,1-4H3,(H,26,29)
• InChIKey: OMDNPYKTHRLMPF-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one (CID 141370646) is 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one.

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

The canonical SMILES for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one is Cc1cnc(N2CCN(C(=O)c3ccc(C4CC(C)(C)NC4=O)cc3)CC2)c(C)c1.

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

The InChIKey is OMDNPYKTHRLMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-16-13-17(2)21(25-15-16)27-9-11-28(12-10-27)23(30)19-7-5-18(6-8-19)20-14-24(3,4)26-22(20)29/h5-8,13,15,20H,9-12,14H2,1-4H3,(H,26,29).

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

3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one has a molecular weight of 406.53 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 141370646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).