N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide

C22H31N3O4 — CID 58483998

About N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide

N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide (PubChem CID 58483998) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide
• PubChem CID: 58483998
• Molecular Formula: C22H31N3O4
• Molecular Weight: 401.51 g/mol
• Exact Mass: 401.23
• IUPAC Name: N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide
• SMILES: CC(=O)N[C@@H](C)COC1CCN(c2nc3ccc(OCC4CCC4)cc3o2)CC1
• InChI: InChI=1S/C22H31N3O4/c1-15(23-16(2)26)13-27-18-8-10-25(11-9-18)22-24-20-7-6-19(12-21(20)29-22)28-14-17-4-3-5-17/h6-7,12,15,17-18H,3-5,8-11,13-14H2,1-2H3,(H,23,26)/t15-/m0/s1
• InChIKey: GTNNCZBHRBZHCW-HNNXBMFYSA-N
• XLogP: 3.52
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.51
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide?

The IUPAC name of N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide (CID 58483998) is N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide.

What is the SMILES notation for N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide?

The canonical SMILES for N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCN(c2nc3ccc(OCC4CCC4)cc3o2)CC1.

What is the InChIKey of N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide?

The InChIKey is GTNNCZBHRBZHCW-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-15(23-16(2)26)13-27-18-8-10-25(11-9-18)22-24-20-7-6-19(12-21(20)29-22)28-14-17-4-3-5-17/h6-7,12,15,17-18H,3-5,8-11,13-14H2,1-2H3,(H,23,26)/t15-/m0/s1.

What are the key properties of N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide?

N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 58483998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).