2-[1-(3-Piperidin-1-ylpropyl)pyridin-4-ylidene]indene-1,3-dione
Basic information
- CAS
62295-50-5- Standard SMILES
O=C1C(=C2C=CN(CCCN3CCCCC3)C=C2)C(=O)c2ccccc21- InChIKey
QPDOHZVDJPVKAC-UHFFFAOYSA-N- Molecular formula
- C22H24N2O2
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.18377801
Names & identifiers
- Preferred name
- 2-[1-(3-Piperidin-1-ylpropyl)pyridin-4-ylidene]indene-1,3-dione
- IUPAC
- 2-[1-(3-piperidin-1-ylpropyl)-4-pyridinylidene]indene-1,3-dione
Names & synonyms
62295-50-5NSC2958722-[1-(3-piperidin-1-ylpropyl)pyridin-4-ylidene]indene-1,3-dioneDTXSID20315668NSC-2958722-{1-[3-(Piperidin-1-yl)propyl]pyridin-4(1H)-ylidene}-1H-indene-1,3(2H)-dione
Database identifiers
- CAS
62295-50-5- PubChem CID
- 326077
- DTXSID
DTXSID20315668
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 613
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Compound notes
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