Chemical ID: 4511671

CN(Cc1ccccc1)C(=O)C2CCCN(C2)Cc3cccc(c3)Br
Chemical ID:
4511671
Name [?]:
N-benzyl-1-[(3-bromophenyl)methyl]-N-methyl-piperidine-3-carboxamide
SMILES [?]:
CN(Cc1ccccc1)C(=O)C2CCCN(C2)Cc3cccc(c3)Br
InChi [?]:
InChI=1/C21H25BrN2O/c1-23(14-17-7-3-2-4-8-17)21(25)19-10-6-12-24(16-19)15-18-9-5-11-20(22)13-18/h2-5,7-9,11,13,19H,6,10,12,14-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,21,14,5,9,20,13,22,15,24,3,18,17,4,19,12,23,10,25,2,16,11/E:(3,4)(7,8)/rA:25cCNCCCCCCCCOCCCCNCCCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;s13;s14;s15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25BrN2O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:11.6596
Area:573.803
Solvation:-2.68543
Coulombic:-23.9902
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:401.34
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.13
LogP (Chemaxon):4.33

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