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Chemical ID: 7356768
Chemical ID:
7356768
Name [?]:
1-(benzo[1,3]dioxol-5-ylcarbamoylmethyl)piperidine-4-carboxamide
SMILES [?]:
c1cc2c(cc1NC(=O)CN3CCC(CC3)C(=O)N)OCO2
InChi [?]:
InChI=1/C15H19N3O4/c16-15(20)10-3-5-18(6-4-10)8-14(19)17-11-1-2-12-13(7-11)22-9-21-12/h1-2,7,10H,3-6,8-9H2,(H2,16,20)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,13,15,12,16,5,10,21,14,6,3,4,8,17,19,7,11,9,18,22,20/E:(3,4)(5,6)/rA:22nCCCCCCNCOCNCCCCCCONOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s14;d17;s17;s4;s20;s3s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19N3O4 |
All Atoms: | 41 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.77266 |
Area: | 497.748 |
Solvation: | -5.67105 |
Coulombic: | -64.1934 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 305.329 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | -0.25 |
LogP (Chemaxon): | 0.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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