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Chemical ID: 4956337
Chemical ID:
4956337
Name [?]:
4-amino-N-[3-(2-methyl-1-piperidyl)propyl]benzamide
SMILES [?]:
CC1CCCCN1CCCNC(=O)c2ccc(cc2)N
InChi [?]:
InChI=1/C16H25N3O/c1-13-5-2-3-11-19(13)12-4-10-18-16(20)14-6-8-15(17)9-7-14/h6-9,13H,2-5,10-12,17H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,9,3,15,19,16,18,10,6,8,2,14,17,12,20,11,7,13/E:(6,7)(8,9)/rA:20cCCCCCCNCCCNCOCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25N3O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.2514 |
Area: | 499.836 |
Solvation: | -2.24452 |
Coulombic: | -43.9153 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.389 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.15 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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