C17H26N4O2 — CID 91812788
1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea (PubChem CID 91812788) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea.
| Compound Name | 1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea |
|---|---|
| PubChem CID | 91812788 |
| Molecular Formula | C17H26N4O2 |
| Molecular Weight | 318.42 g/mol |
| Exact Mass | 318.21 |
| IUPAC Name | 1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea |
| SMILES | O=C(NCC1CCN(c2ccccn2)CC1)NCC1CCCO1 |
| InChI | InChI=1S/C17H26N4O2/c22-17(20-13-15-4-3-11-23-15)19-12-14-6-9-21(10-7-14)16-5-1-2-8-18-16/h1-2,5,8,14-15H,3-4,6-7,9-13H2,(H2,19,20,22) |
| InChIKey | QMUKYPCRFYSHOM-UHFFFAOYSA-N |
| XLogP | 1.78 |
| TPSA | 66.49 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 23 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 318.42 |
| LogP ≤ 5 | 1.78 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |