[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone

C17H28N4O4S — CID 119487512

About [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119487512) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
• PubChem CID: 119487512
• Molecular Formula: C17H28N4O4S
• Molecular Weight: 384.50 g/mol
• Exact Mass: 384.18
• IUPAC Name: [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
• SMILES: CNC1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1
• InChI: InChI=1S/C17H28N4O4S/c1-12-16(13(2)25-19-12)26(23,24)21-9-6-14(7-10-21)17(22)20-8-4-5-15(11-20)18-3/h14-15,18H,4-11H2,1-3H3
• InChIKey: OGLMHKCEUCVOCC-UHFFFAOYSA-N
• XLogP: 0.90
• TPSA: 95.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.50
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?

The IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone (CID 119487512) is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone.

What is the SMILES notation for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?

The canonical SMILES for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1.

What is the InChIKey of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?

The InChIKey is OGLMHKCEUCVOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-12-16(13(2)25-19-12)26(23,24)21-9-6-14(7-10-21)17(22)20-8-4-5-15(11-20)18-3/h14-15,18H,4-11H2,1-3H3.

What are the key properties of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone?

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 384.50 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119487512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).