| CAS Number | 944997-60-8 |
| Catalog Number | AG005WMI(AGN-PC-0768ZZ) |
| Chemical Name | C3a Receptor Agonist |
| IUPAC Name | 2-cyclohexyl-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide |
| InChI | InChI=1S/C27H35N3O2/c31-25(14-13-21-8-7-17-28-20-21)30-18-15-24(16-19-30)29-27(32)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1,3-4,7-10,17,20,23-24,26H,2,5-6,11-16,18-19H2,(H,29,32) |
| InChI Key | RMFOYNMWESQGBZ-UHFFFAOYSA-N |
| MDL Number | MFCD11114380 |
| Molecular Formula | C27H35N3O2 |
| Molecular Weight | 433.5857 |
| SMILES | O=C(N1CCC(CC1)NC(=O)C(c1ccccc1)C1CCCCC1)CCc1cccnc1 |
| Synonyms | C3A Receptor Agonist,
944997-60-8,
CHEMBL390036,
CHEMBL535625,
SCHEMBL14335900,
CTK8E9998,
DTXSID90659061,
BDBM50423085,
2-cyclohexyl-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide,
RT-011881,
C3A Receptor Agonist, >=98% (HPLC), solid,
2-Cyclohexyl-2-phenyl-N-{1-[3-(pyridin-3-yl)propanoyl]piperidin-4-yl}acetamide,
a-cyclohexyl-N-[1-[1-oxo-3-(3-pyridinyl)propyl]-4-piperidinyl]-benzeneacetamide,
Benzeneacetamide,|A-cyclohexyl-N-[1-[1-oxo-3-(3-pyridinyl)propyl]-4-piperidinyl]-,
CHEMBL535624,
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| Complexity | 590 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 433.273g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 433.596g/mol |
| Monoisotopic Mass | 433.273g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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