2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide

C22H32N4O3 — CID 154129409

About 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide

2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide (PubChem CID 154129409) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide
• PubChem CID: 154129409
• Molecular Formula: C22H32N4O3
• Molecular Weight: 400.52 g/mol
• Exact Mass: 400.25
• IUPAC Name: 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide
• SMILES: C[C@@H]1CCC[C@H](C)N1CCC1(C(N)=O)CCCCN1c1nc2ccc(O)cc2o1
• InChI: InChI=1S/C22H32N4O3/c1-15-6-5-7-16(2)25(15)13-11-22(20(23)28)10-3-4-12-26(22)21-24-18-9-8-17(27)14-19(18)29-21/h8-9,14-16,27H,3-7,10-13H2,1-2H3,(H2,23,28)/t15-,16+,22?
• InChIKey: FEDKTTXRFPJZHO-XVQYUUQNSA-N
• XLogP: 3.40
• TPSA: 95.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.52
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide?

The IUPAC name of 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide (CID 154129409) is 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide.

What is the SMILES notation for 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide?

The canonical SMILES for 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide is C[C@@H]1CCC[C@H](C)N1CCC1(C(N)=O)CCCCN1c1nc2ccc(O)cc2o1.

What is the InChIKey of 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide?

The InChIKey is FEDKTTXRFPJZHO-XVQYUUQNSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-15-6-5-7-16(2)25(15)13-11-22(20(23)28)10-3-4-12-26(22)21-24-18-9-8-17(27)14-19(18)29-21/h8-9,14-16,27H,3-7,10-13H2,1-2H3,(H2,23,28)/t15-,16+,22?.

What are the key properties of 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide?

2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-(6-hydroxy-1,3-benzoxazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 154129409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).