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Chemical ID: 7386915
Chemical ID:
7386915
Name [?]:
1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidine-4-carboxamide
SMILES [?]:
CCN1CCN(CC1)CC(=O)N2CCC(CC2)C(=O)N
InChi [?]:
InChI=1/C14H26N4O2/c1-2-16-7-9-17(10-8-16)11-13(19)18-5-3-12(4-6-18)14(15)20/h12H,2-11H2,1H3,(H2,15,20)
InChi Info:
AuxInfo=1/1/N:1,2,14,16,13,17,4,8,5,7,9,15,10,18,20,3,6,12,11,19/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCNCCNCCCCONCCCCCCON/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H26N4O2 |
All Atoms: | 46 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.00019 |
Area: | 484.395 |
Solvation: | -4.10967 |
Coulombic: | -49.0646 |
Bond Count [?]
All: | 21 |
Single: | 19 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 282.382 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -1.37 |
LogP (Chemaxon): | -1.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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