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Chemical ID: 5045136
Chemical ID:
5045136
Name [?]:
N-[(4-chlorophenyl)methyl]-2-oxo-2-(1-piperidyl)acetamide
SMILES [?]:
c1cc(ccc1CNC(=O)C(=O)N2CCCCC2)Cl
InChi [?]:
InChI=1/C14H17ClN2O2/c15-12-6-4-11(5-7-12)10-16-13(18)14(19)17-8-2-1-3-9-17/h4-7H,1-3,8-10H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:16,15,17,1,5,2,4,14,18,7,6,3,9,11,19,8,13,10,12/E:(2,3)(4,5)(6,7)(8,9)/rA:19nCCCCCCCNCOCONCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s13s17;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17ClN2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3715 |
Area: | 481.166 |
Solvation: | -1.65761 |
Coulombic: | -44.5536 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 280.75 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.23 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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