5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one

C22H29N3O2 — CID 56915957

About 5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one

5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56915957) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 56915957
• Molecular Formula: C22H29N3O2
• Molecular Weight: 367.49 g/mol
• Exact Mass: 367.23
• IUPAC Name: 5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one
• SMILES: Cc1cc(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)c(=O)[nH]c1C
• InChI: InChI=1S/C22H29N3O2/c1-14(2)17-7-9-18(10-8-17)24-19-6-5-11-25(13-19)22(27)20-12-15(3)16(4)23-21(20)26/h7-10,12,14,19,24H,5-6,11,13H2,1-4H3,(H,23,26)
• InChIKey: VEPLIBYODGLQLO-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.49
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 56915957) is 5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)c(=O)[nH]c1C.

What is the InChIKey of 5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is VEPLIBYODGLQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-14(2)17-7-9-18(10-8-17)24-19-6-5-11-25(13-19)22(27)20-12-15(3)16(4)23-21(20)26/h7-10,12,14,19,24H,5-6,11,13H2,1-4H3,(H,23,26).

What are the key properties of 5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one?

5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 367.49 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dimethyl-3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56915957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).