Chemical ID: 6471857

CCCCNC(=O)N1CCN(CC1)Cc2ccccc2
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

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Descriptor Annotations

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