N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
Compound ID: | S733-0673 |
Compound Name: | N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
Molecular Weight: | 443.63 |
Molecular Formula: | C25 H41 N5 O2 |
Smiles: | CC1CCN(CCCNC(C2CCCN(CCC(NCC2)=O)Cc2ccncc2)=O)CC1 |
Stereo: | RACEMIC MIXTURE |
logP: | 0.2222 |
logD: | -2.296 |
logSw: | -1.2579 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.991 |
InChI Key: | FIXNUUFFMKHVCJ-QHCPKHFHSA-N |