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Chemical ID: 6581863
Chemical ID:
6581863
Name [?]:
ethyl 1-[(4-methoxycarbonylphenyl)carbamoylmethyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)CC(=O)Nc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C18H24N2O5/c1-3-25-18(23)14-8-10-20(11-9-14)12-16(21)19-15-6-4-13(5-7-15)17(22)24-2/h4-7,14H,3,8-12H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,25,2,18,20,17,21,7,11,8,10,12,19,6,16,13,22,4,15,9,14,23,5,24,3/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCOCOCCCNCCCCONCCCCCCCOOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81058 |
Area: | 587.729 |
Solvation: | -4.88264 |
Coulombic: | -62.3315 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 348.394 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.4 |
LogP (Chemaxon): | 1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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