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Chemical ID: 4123409
Chemical ID:
4123409
Name [?]:
6-[(4-carbamoyl-1-piperidyl)carbonyl]cyclohex-3-ene-1-carboxylic acid
SMILES [?]:
C1CN(CCC1C(=O)N)C(=O)C2CC=CCC2C(=O)O
InChi [?]:
InChI=1/C14H20N2O4/c15-12(17)9-5-7-16(8-6-9)13(18)10-3-1-2-4-11(10)14(19)20/h1-2,9-11H,3-8H2,(H2,15,17)(H,19,20)
InChi Info:
AuxInfo=1/1/N:14,15,13,16,1,5,2,4,6,12,17,7,10,18,9,3,8,11,19,20/E:(5,6)(7,8)(19,20)/rA:20cCCNCCCCONCOCCCCCCCOO/rB:s1;s2;s3;s4;s1s5;s6;d7;s7;s3;d10;s10;s12;s13;d14;s15;s12s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.17171 |
Area: | 443.031 |
Solvation: | -3.90408 |
Coulombic: | -65.807 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 280.32 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -0.72 |
LogP (Chemaxon): | -0.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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