Chemical ID: 5931402

c1ccc(cc1)CC2CCN(CC2)c3ccc(cc3C(=O)N4CCCCC4)N
Chemical ID:
5931402
Name [?]:
[5-amino-2-(4-benzyl-1-piperidyl)-phenyl]-(1-piperidyl)methanone
SMILES [?]:
c1ccc(cc1)CC2CCN(CC2)c3ccc(cc3C(=O)N4CCCCC4)N
InChi [?]:
InChI=1/C24H31N3O/c25-21-9-10-23(22(18-21)24(28)27-13-5-2-6-14-27)26-15-11-20(12-16-26)17-19-7-3-1-4-8-19/h1,3-4,7-10,18,20H,2,5-6,11-17,25H2
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,3,5,16,15,9,13,23,27,10,12,7,18,4,8,17,19,14,20,28,11,22,21/E:(3,4)(5,6)(7,8)(11,12)(13,14)(15,16)/rA:28nCCCCCCCCCCNCCCCCCCCCONCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;s24;s25;s22s26;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H31N3O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.9331
Area:601.477
Solvation:-3.10383
Coulombic:-41.6471
Bond Count [?]
All:31
Single:24
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:377.523
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.64
LogP (Chemaxon):4.06

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Descriptor Annotations

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