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Chemical ID: 6133274
Chemical ID:
6133274
Name [?]:
1-[(6-acetylbenzo[1,3]dioxol-5-yl)carbamoylmethyl]piperidine-4-carboxamide
SMILES [?]:
CC(=O)c1cc2c(cc1NC(=O)CN3CCC(CC3)C(=O)N)OCO2
InChi [?]:
InChI=1/C17H21N3O5/c1-10(21)12-6-14-15(25-9-24-14)7-13(12)19-16(22)8-20-4-2-11(3-5-20)17(18)23/h6-7,11H,2-5,8-9H2,1H3,(H2,18,23)(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,16,18,15,19,5,8,13,24,2,17,4,9,6,7,11,20,22,10,14,3,12,21,25,23/E:(2,3)(4,5)/rA:25nCCOCCCCCCNCOCNCCCCCCONOCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s17;d20;s20;s7;s23;s6s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21N3O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.31272 |
Area: | 543.45 |
Solvation: | -6.27352 |
Coulombic: | -70.845 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 347.366 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 0.02 |
LogP (Chemaxon): | 0.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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