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Chemical ID: 5278749
Chemical ID:
5278749
Name [?]:
methyl 2-[(2-ethyl-1-piperidyl)carbonylamino]-3-methyl-pentanoate
SMILES [?]:
CCC1CCCCN1C(=O)NC(C(C)CC)C(=O)OC
InChi [?]:
InChI=1/C15H28N2O3/c1-5-11(3)13(14(18)20-4)16-15(19)17-10-8-7-9-12(17)6-2/h11-13H,5-10H2,1-4H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:16,1,14,20,15,2,5,6,4,7,13,3,12,17,9,11,8,18,10,19/rA:20cCCCCCCCNCONCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s9;s11;s12;s13;s13;s15;s12;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H28N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.1778 |
Area: | 485.06 |
Solvation: | -1.94874 |
Coulombic: | -51.3176 |
Bond Count [?]
All: | 20 |
Single: | 18 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 284.395 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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