2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide

C18H23N3O2S — CID 95142220

About 2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 95142220) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
• PubChem CID: 95142220
• Molecular Formula: C18H23N3O2S
• Molecular Weight: 345.47 g/mol
• Exact Mass: 345.15
• IUPAC Name: 2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
• SMILES: COC1CCN(CC(=O)N[C@@H](c2ccccc2)c2nccs2)CC1
• InChI: InChI=1S/C18H23N3O2S/c1-23-15-7-10-21(11-8-15)13-16(22)20-17(18-19-9-12-24-18)14-5-3-2-4-6-14/h2-6,9,12,15,17H,7-8,10-11,13H2,1H3,(H,20,22)/t17-/m0/s1
• InChIKey: MWCRZJIMHXLXNV-KRWDZBQOSA-N
• XLogP: 2.46
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.47
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide?

The IUPAC name of 2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 95142220) is 2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide?

The canonical SMILES for 2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide is COC1CCN(CC(=O)N[C@@H](c2ccccc2)c2nccs2)CC1.

What is the InChIKey of 2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide?

The InChIKey is MWCRZJIMHXLXNV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-23-15-7-10-21(11-8-15)13-16(22)20-17(18-19-9-12-24-18)14-5-3-2-4-6-14/h2-6,9,12,15,17H,7-8,10-11,13H2,1H3,(H,20,22)/t17-/m0/s1.

What are the key properties of 2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide?

2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 95142220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).