Chemical ID: 4768847

c1ccc(cc1)CN2CCC(CC2)NC(=O)C=CC(=O)O
Chemical ID:
4768847
Name [?]:
4-[(1-benzyl-4-piperidyl)amino]-4-oxo-but-2-enoic acid
SMILES [?]:
c1ccc(cc1)CN2CCC(CC2)NC(=O)C=CC(=O)O
InChi [?]:
InChI=1/C16H20N2O3/c19-15(6-7-16(20)21)17-14-8-10-18(11-9-14)12-13-4-2-1-3-5-13/h1-7,14H,8-12H2,(H,17,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,18,10,12,9,13,7,4,11,15,19,14,8,16,20,21/E:(2,3)(4,5)(8,9)(10,11)(20,21)/rA:21nCCCCCCCNCCCCCNCOCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;d15;s15;w17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.22662
Area:496.387
Solvation:-4.18306
Coulombic:-52.2715
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:288.342
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.48
LogP (Chemaxon):-2.94

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