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Chemical ID: 7349910
Chemical ID:
7349910
Name [?]:
1-(2-aminopropanoyl)-N-[1-[(4-methoxyphenyl)methylcarbamoyl]-2-phenyl-ethyl]-piperidine-4-carboxamide
SMILES [?]:
CC(C(=O)N1CCC(CC1)C(=O)NC(Cc2ccccc2)C(=O)NCc3ccc(cc3)OC)N
InChi [?]:
InChI=1/C26H34N4O4/c1-18(27)26(33)30-14-12-21(13-15-30)24(31)29-23(16-19-6-4-3-5-7-19)25(32)28-17-20-8-10-22(34-2)11-9-20/h3-11,18,21,23H,12-17,27H2,1-2H3,(H,28,32)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,33,19,18,20,17,21,27,31,28,30,7,9,6,10,15,25,2,16,26,8,29,14,11,22,3,34,24,13,5,12,23,4,32/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:34cCCCONCCCCCCONCCCCCCCCCONCCCCCCCOCN/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s14;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;s32;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H34N4O4 |
All Atoms: | 68 |
Heavy Atoms: | 34 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.8193 |
Area: | 724.467 |
Solvation: | -6.29243 |
Coulombic: | -78.2616 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 466.573 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 1.75 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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