| CAS Number | 1311314-36-9 |
| Catalog Number | AG019VLT |
| Chemical Name | 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-chloroethan-1-one |
| IUPAC Name | 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-chloroethanone |
| InChI | InChI=1S/C14H23ClN2O2/c15-11-13(18)16-9-5-12(6-10-16)14(19)17-7-3-1-2-4-8-17/h12H,1-11H2 |
| InChI Key | MTGHNEJOAHCQBK-UHFFFAOYSA-N |
| MDL Number | MFCD18785430 |
| Molecular Formula | C14H23ClN2O2 |
| Molecular Weight | 286.7976 |
| SMILES | ClCC(N1CCC(C(N2CCCCCC2)=O)CC1)=O |
| Synonyms | 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-chloroethan-1-one,
1311314-36-9,
ZINC62146592,
AKOS034078658,
NE23951,
EN300-46326,
Z291278928,
1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-chloroethan-1-one,
1-{4-[(azepan-1-yl)carbonyl]piperidin-1-yl}-2-chloroethan-1-one,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.8g/mol |
| Monoisotopic Mass | 286.145g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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