Basic information
- CAS
877825-78-0- Standard SMILES
COc1ccc(C(=O)N2CCC(C(=O)O)CC2)c2ccccc12- InChIKey
NATACBSMEZFBCP-UHFFFAOYSA-N- Molecular formula
- C18H19NO4
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.13140809
Names & identifiers
- Preferred name
- 1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxylic Acid
- IUPAC
- 1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxylic acid
Names & synonyms
1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxylic Acid877825-78-0MLS001174007CHEMBL1542897DTXSID701164705HMS2896C24CKB82578AKOS001204512SMR000592467CS-0241584EN300-23461G26798
Show more names
Z1476524141-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxylicAcid1-[(4-Methoxy-1-naphthalenyl)carbonyl]-4-piperidinecarboxylic acid1-[(4-methoxynaphthalen-1-yl)carbonyl]piperidine-4-carboxylic acid
Database identifiers
- CAS
877825-78-0- PubChem CID
- 9106592
- DTXSID
DTXSID701164705- ChEMBL
CHEMBL1542897
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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