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Chemical ID: 3959343
Chemical ID:
3959343
Name [?]:
N-cyclopropyl-2-[4-(1-piperidyl)-1-piperidyl]-propanamide
SMILES [?]:
CC(C(=O)NC1CC1)N2CCC(CC2)N3CCCCC3
InChi [?]:
InChI=1/C16H29N3O/c1-13(16(20)17-14-5-6-14)18-11-7-15(8-12-18)19-9-3-2-4-10-19/h13-15H,2-12H2,1H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,7,8,11,13,16,20,10,14,2,6,12,3,5,9,15,4/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:20cCCCONCCCNCCCCCNCCCCC/rB:s1;s2;d3;s3;s5;s6;s6s7;s2;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H29N3O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.26756 |
Area: | 487.46 |
Solvation: | -2.91894 |
Coulombic: | -30.3472 |
Bond Count [?]
All: | 22 |
Single: | 21 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 279.421 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.56 |
LogP (Chemaxon): | 0.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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