N-{[4-(4-methylpiperidin-1-yl)phenyl]methyl}-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-{[4-(4-methylpiperidin-1-yl)phenyl]methyl}-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
N-{[4-(4-methylpiperidin-1-yl)phenyl]methyl}-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0617 |
| Compound Name: | N-{[4-(4-methylpiperidin-1-yl)phenyl]methyl}-4-oxo-1-[(pyridin-3-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 491.68 |
| Molecular Formula: | C29 H41 N5 O2 |
| Smiles: | CC1CCN(CC1)c1ccc(CNC(C2CCCN(CCC(NCC2)=O)Cc2cccnc2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5405 |
| logD: | 1.383 |
| logSw: | -1.4056 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.709 |
| InChI Key: | MIUDNQYSSHUGFC-SANMLTNESA-N |