Chemical ID: 4257634

Cc1ccc(cc1)C(=O)N2CCN(CC2)CC(=O)O
Chemical ID:
4257634
Name [?]:
2-[4-(4-methylbenzoyl)piperazin-1-yl]acetic acid
SMILES [?]:
Cc1ccc(cc1)C(=O)N2CCN(CC2)CC(=O)O
InChi [?]:
InChI=1/C14H18N2O3/c1-11-2-4-12(5-3-11)14(19)16-8-6-15(7-9-16)10-13(17)18/h2-5H,6-10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,12,14,11,15,16,2,5,17,8,13,10,18,19,9/E:(2,3)(4,5)(6,7)(8,9)(17,18)/rA:19nCCCCCCCCONCCNCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.95021
Area:451.591
Solvation:-3.33957
Coulombic:-49.0355
Bond Count [?]
All:20
Single:15
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:262.304
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.03
LogP (Chemaxon):-1.67

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