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Chemical ID: 4246254
Chemical ID:
4246254
Name [?]:
N-(4-chlorophenyl)piperidine-1,3-dicarboxamide
SMILES [?]:
c1cc(ccc1NC(=O)N2CCCC(C2)C(=O)N)Cl
InChi [?]:
InChI=1/C13H16ClN3O2/c14-10-3-5-11(6-4-10)16-13(19)17-7-1-2-9(8-17)12(15)18/h3-6,9H,1-2,7-8H2,(H2,15,18)(H,16,19)
InChi Info:
AuxInfo=1/1/N:12,13,2,4,1,5,11,15,14,3,6,16,8,19,18,7,10,17,9/E:(3,4)(5,6)/rA:19cCCCCCCNCONCCCCCCONCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16ClN3O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.98877 |
Area: | 469.701 |
Solvation: | -2.75376 |
Coulombic: | -55.3391 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.738 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.87 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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