4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one

C18H25N5O2 — CID 91833899

About 4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one

4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 91833899) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 91833899
• Molecular Formula: C18H25N5O2
• Molecular Weight: 343.43 g/mol
• Exact Mass: 343.20
• IUPAC Name: 4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
• SMILES: Cc1[nH]c(=O)c(C(=O)N2CCN(Cc3nccn3C)CC2)c(C)c1C
• InChI: InChI=1S/C18H25N5O2/c1-12-13(2)16(17(24)20-14(12)3)18(25)23-9-7-22(8-10-23)11-15-19-5-6-21(15)4/h5-6H,7-11H2,1-4H3,(H,20,24)
• InChIKey: XBZZZHNLUAWMPB-UHFFFAOYSA-N
• XLogP: 0.99
• TPSA: 74.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 91833899) is 4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one is Cc1[nH]c(=O)c(C(=O)N2CCN(Cc3nccn3C)CC2)c(C)c1C.

What is the InChIKey of 4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is XBZZZHNLUAWMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-13(2)16(17(24)20-14(12)3)18(25)23-9-7-22(8-10-23)11-15-19-5-6-21(15)4/h5-6H,7-11H2,1-4H3,(H,20,24).

What are the key properties of 4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one?

4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 343.43 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5,6-trimethyl-3-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 91833899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).