Chemical ID: 6510353

C1CCCN(CC1)C(=O)C2CCCNC2
Chemical ID:
6510353
Name [?]:
azepan-1-yl-(3-piperidyl)methanone
SMILES [?]:
C1CCCN(CC1)C(=O)C2CCCNC2
InChi [?]:
InChI=1/C12H22N2O/c15-12(11-6-5-7-13-10-11)14-8-3-1-2-4-9-14/h11,13H,1-10H2
InChi Info:
AuxInfo=1/0/N:1,2,7,3,12,11,13,6,4,15,10,8,14,5,9/E:(1,2)(3,4)(8,9)/rA:15cCCCCNCCCOCCCCNC/rB:s1;s2;s3;s4;s5;s1s6;s5;d8;s8;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22N2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.76528
Area:377.721
Solvation:-1.67775
Coulombic:-25.0293
Bond Count [?]
All:16
Single:15
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:210.316
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.89
LogP (Chemaxon):0.74

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue