N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]piperidine-4-carboxamide

Formula:C13H22N4O Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]piperidine-4-carboxamide is a drug-like molecule.

MolNameN-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]piperidine-4-carboxamide
MolecularFormulaC13H22N4O
SmilesO=C(C1CCNCC1)N/N=C1/C(CC2)CCN2C1
InChIInChI=1S/C13H22N4O/c18-13(11-1-5-14-6-2-11)16-15-12-9-17-7-3-10(12)4-8-17/h10-11,14H,1-9H2,(H,16,18)
InChIKWAAPNYHFCDRRKX-UHFFFAOYSA-N
TotalMolweight250.345
Molweight250.345
MonoisotopicMass250.179361
CLogP0.6228
CLogS-1.603
H Acceptors5
H Donors2
TotalSurfaceArea195.78
Relative PSA0.2606
PolarSurfaceArea56.73
Druglikeness8.0139
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.61111
Fragments1
Non HAtoms18
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond2
Rings Closures3
Small Rings4
Sp3Atoms13
Symmetricatoms4
Amines2
AlkylAmines2
BasicNitrogens2
StereoCon

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