| CAS Number | 188527-08-4 |
| Catalog Number | AG00AQIT(AGN-PC-0QHN61) |
| Chemical Name | N-Benzyl 1-Boc-piperidine-4-carboxamide |
| IUPAC Name | tert-butyl 4-(benzylcarbamoyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)20-11-9-15(10-12-20)16(21)19-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21) |
| InChI Key | AGQWIWVWFLIEKQ-UHFFFAOYSA-N |
| MDL Number | MFCD09267608 |
| Molecular Formula | C18H26N2O3 |
| Molecular Weight | 318.4106 |
| SMILES | C(=O)(OC(C)(C)C)N1CCC(CC1)C(=O)NCC1=CC=CC=C1 |
| Synonyms | N-BENZYL 1-BOC-PIPERIDINE-4-CARBOXAMIDE,
188527-08-4,
tert-butyl 4-(benzylcarbamoyl)piperidine-1-carboxylate,
SCHEMBL12804554,
AGQWIWVWFLIEKQ-UHFFFAOYSA-N,
ZINC9846118,
KM3968,
STK162055,
AKOS005408369,
MCULE-8303686757,
V4007,
C18H26N2O3,
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| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.417g/mol |
| Monoisotopic Mass | 318.194g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number