Chemical ID: 5106914

c1ccc(cc1)CN2CCN(CC2)Cc3ccc(cc3)C(=O)NC4CCCC4
Chemical ID:
5106914
Name [?]:
4-[(4-benzylpiperazin-1-yl)methyl]-N-cyclopentyl-benzamide
SMILES [?]:
c1ccc(cc1)CN2CCN(CC2)Cc3ccc(cc3)C(=O)NC4CCCC4
InChi [?]:
InChI=1/C24H31N3O/c28-24(25-23-8-4-5-9-23)22-12-10-21(11-13-22)19-27-16-14-26(15-17-27)18-20-6-2-1-3-7-20/h1-3,6-7,10-13,23H,4-5,8-9,14-19H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,27,3,5,25,28,16,20,17,19,9,13,10,12,7,14,4,15,18,24,21,23,8,11,22/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:28nCCCCCCCNCCNCCCCCCCCCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H31N3O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.9959
Area:633.476
Solvation:-2.84096
Coulombic:-34.6695
Bond Count [?]
All:31
Single:24
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:377.523
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.79
LogP (Chemaxon):3.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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