[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone

C17H23N3O3S — CID 110007880

About [3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone

[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone (PubChem CID 110007880) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is [3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone.

Molecular Properties

• Compound Name: [3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone
• PubChem CID: 110007880
• Molecular Formula: C17H23N3O3S
• Molecular Weight: 349.46 g/mol
• Exact Mass: 349.15
• IUPAC Name: [3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone
• SMILES: COCc1ccsc1C(=O)N1CCCC(C(O)c2nccn2C)C1
• InChI: InChI=1S/C17H23N3O3S/c1-19-8-6-18-16(19)14(21)12-4-3-7-20(10-12)17(22)15-13(11-23-2)5-9-24-15/h5-6,8-9,12,14,21H,3-4,7,10-11H2,1-2H3
• InChIKey: XUJYZKSLXQXLDC-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 67.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.46
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone?

The IUPAC name of [3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone (CID 110007880) is [3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone.

What is the SMILES notation for [3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone?

The canonical SMILES for [3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone is COCc1ccsc1C(=O)N1CCCC(C(O)c2nccn2C)C1.

What is the InChIKey of [3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone?

The InChIKey is XUJYZKSLXQXLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-19-8-6-18-16(19)14(21)12-4-3-7-20(10-12)17(22)15-13(11-23-2)5-9-24-15/h5-6,8-9,12,14,21H,3-4,7,10-11H2,1-2H3.

What are the key properties of [3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone?

[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone has a molecular weight of 349.46 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[3-(methoxymethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 110007880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).