(2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide

C16H25N3O2S — CID 124737179

About (2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide

(2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 124737179) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
• PubChem CID: 124737179
• Molecular Formula: C16H25N3O2S
• Molecular Weight: 323.46 g/mol
• Exact Mass: 323.17
• IUPAC Name: (2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
• SMILES: C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)[C@H]3CCCO3)n2)C1
• InChI: InChI=1S/C16H25N3O2S/c1-11-6-12(2)8-19(7-11)9-13-10-22-16(17-13)18-15(20)14-4-3-5-21-14/h10-12,14H,3-9H2,1-2H3,(H,17,18,20)/t11-,12+,14-/m1/s1
• InChIKey: PPOHLNYMGHIJBO-MBNYWOFBSA-N
• XLogP: 2.74
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.46
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?

The IUPAC name of (2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 124737179) is (2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide.

What is the SMILES notation for (2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?

The canonical SMILES for (2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide is C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)[C@H]3CCCO3)n2)C1.

What is the InChIKey of (2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?

The InChIKey is PPOHLNYMGHIJBO-MBNYWOFBSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-11-6-12(2)8-19(7-11)9-13-10-22-16(17-13)18-15(20)14-4-3-5-21-14/h10-12,14H,3-9H2,1-2H3,(H,17,18,20)/t11-,12+,14-/m1/s1.

What are the key properties of (2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?

(2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 124737179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).