3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol

C17H27N5O2 — CID 56905225

About 3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol

3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol (PubChem CID 56905225) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol.

Molecular Properties

• Compound Name: 3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
• PubChem CID: 56905225
• Molecular Formula: C17H27N5O2
• Molecular Weight: 333.44 g/mol
• Exact Mass: 333.22
• IUPAC Name: 3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
• SMILES: Cc1ccc(-c2nnc(CN3CCCC(O)(CN(C)C)C3)o2)n1C
• InChI: InChI=1S/C17H27N5O2/c1-13-6-7-14(21(13)4)16-19-18-15(24-16)10-22-9-5-8-17(23,12-22)11-20(2)3/h6-7,23H,5,8-12H2,1-4H3
• InChIKey: NEZGBOWLHRQPRM-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 70.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.44
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?

The IUPAC name of 3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol (CID 56905225) is 3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol.

What is the SMILES notation for 3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?

The canonical SMILES for 3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol is Cc1ccc(-c2nnc(CN3CCCC(O)(CN(C)C)C3)o2)n1C.

What is the InChIKey of 3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?

The InChIKey is NEZGBOWLHRQPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13-6-7-14(21(13)4)16-19-18-15(24-16)10-22-9-5-8-17(23,12-22)11-20(2)3/h6-7,23H,5,8-12H2,1-4H3.

What are the key properties of 3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?

3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol has a molecular weight of 333.44 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(dimethylamino)methyl]-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 56905225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).