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Chemical ID: 6471857
Chemical ID:
6471857
Name [?]:
4-benzyl-N-butyl-piperazine-1-carboxamide
SMILES [?]:
CCCCNC(=O)N1CCN(CC1)Cc2ccccc2
InChi [?]:
InChI=1/C16H25N3O/c1-2-3-9-17-16(20)19-12-10-18(11-13-19)14-15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,18,17,19,16,20,4,10,12,9,13,14,15,6,5,11,8,7/E:(5,6)(7,8)(10,11)(12,13)/rA:20nCCCCNCONCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25N3O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3489 |
Area: | 505.943 |
Solvation: | -2.29968 |
Coulombic: | -37.1384 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.2 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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