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Chemical ID: 5106914
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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