Basic information
- CAS
69548-61-4- Standard SMILES
O=C1Nc2cccnc2N(C(=O)CCN2CCCCC2)c2ccccc21- InChIKey
KWEKGRDEZAIOFO-UHFFFAOYSA-N- Molecular formula
- C20H22N4O2
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.17427596
Names & identifiers
- Preferred name
- 6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1-oxo-3-(1-piperidinyl)propyl)-
- IUPAC
- 11-(3-piperidin-1-ylpropanoyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Names & synonyms
6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-(1-oxo-3-(1-piperidinyl)propyl)-5,11-Dihydro-11-((3-piperidinopropionyl))-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one69548-61-4DTXSID802198105,11-Dihydro-11-(1-oxo-3-(1-piperidinyl)propyl)-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-oneRefChem:309717DTXCID30142301SCHEMBL11445737KWEKGRDEZAIOFO-UHFFFAOYSA-N11-[3-(Piperidin-1-yl)propanoyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one5,11-Dihydro-11-(3-piperidinopropionyl)-6H-pyrido [2,3-b][1,4]-benzodiazepin-6-one
Database identifiers
- CAS
69548-61-4- PubChem CID
- 3053102
- DTXSID
DTXSID80219810
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 520
Related reactions
2 records
Compound notes
Loading…