| CAS Number | 923226-99-7 |
| Catalog Number | AG00IH3F(AGN-PC-0WOKDZ) |
| Chemical Name | 1-(2-Nitrophenyl)piperidine-4-carboxamide |
| IUPAC Name | 1-(2-nitrophenyl)piperidine-4-carboxamide |
| InChI | InChI=1S/C12H15N3O3/c13-12(16)9-5-7-14(8-6-9)10-3-1-2-4-11(10)15(17)18/h1-4,9H,5-8H2,(H2,13,16) |
| InChI Key | ZQJMTLPHIAVUPR-UHFFFAOYSA-N |
| MDL Number | MFCD01604419 |
| Molecular Formula | C12H15N3O3 |
| Molecular Weight | 249.2658 |
| SMILES | NC(=O)C1CCN(CC1)c1ccccc1[N+](=O)[O-] |
| Synonyms | 1-(2-nitrophenyl)piperidine-4-carboxamide,
923226-99-7,
4-Piperidinecarboxamide, 1-(2-nitrophenyl)-,
SCHEMBL3436153,
ZINC4905784,
AKOS025137059,
MCULE-8959580967,
Z31237872,
F1911-3533,
AC1OLVVP,
ZINC04905784,
CID7410592,
N-(2-NITROPHENYL)PIPERIDINE-4-CARBOXAMIDE,
883106-60-3,
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| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.111341g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.27g/mol |
| Monoisotopic Mass | 249.111341g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number