Chemical ID: 5829906

CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccc(cc3)Br
Chemical ID:
5829906
Name [?]:
N-benzyl-1-[(4-bromophenyl)methyl]-N-ethyl-piperidine-4-carboxamide
SMILES [?]:
CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccc(cc3)Br
InChi [?]:
InChI=1/C22H27BrN2O/c1-2-25(17-18-6-4-3-5-7-18)22(26)20-12-14-24(15-13-20)16-19-8-10-21(23)11-9-19/h3-11,20H,2,12-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,6,10,21,25,22,24,14,18,15,17,19,4,5,20,13,23,11,26,16,3,12/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26nCCNCCCCCCCCOCCCNCCCCCCCCCBr/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27BrN2O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.1233
Area:597.223
Solvation:-2.80724
Coulombic:-23.8214
Bond Count [?]
All:28
Single:21
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:415.367
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.55
LogP (Chemaxon):4.52

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