2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C22H29N5O3 — CID 25447155

About 2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide

2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 25447155) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide
• PubChem CID: 25447155
• Molecular Formula: C22H29N5O3
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.23
• IUPAC Name: 2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide
• SMILES: Cc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)CCN2CCCO2)CC1
• InChI: InChI=1S/C22H29N5O3/c1-17-5-2-3-6-19(17)22(29)24-20-7-11-23-27(20)18-8-13-25(14-9-18)21(28)10-15-26-12-4-16-30-26/h2-3,5-7,11,18H,4,8-10,12-16H2,1H3,(H,24,29)
• InChIKey: MNVKNILQBKZGQO-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide?

The IUPAC name of 2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 25447155) is 2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

What is the SMILES notation for 2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide?

The canonical SMILES for 2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide is Cc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)CCN2CCCO2)CC1.

What is the InChIKey of 2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide?

The InChIKey is MNVKNILQBKZGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-17-5-2-3-6-19(17)22(29)24-20-7-11-23-27(20)18-8-13-25(14-9-18)21(28)10-15-26-12-4-16-30-26/h2-3,5-7,11,18H,4,8-10,12-16H2,1H3,(H,24,29).

What are the key properties of 2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide?

2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 411.51 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 25447155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).