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Chemical ID: 5176326

Chemical ID:

5176326

Name [?]:

1-(p-tolylcarbamoyl)piperidine-3-carboxylic acid

SMILES [?]:

Cc1ccc(cc1)NC(=O)N2CCCC(C2)C(=O)O

InChi [?]:

InChI=1/C14H18N2O3/c1-10-4-6-12(7-5-10)15-14(19)16-8-2-3-11(9-16)13(17)18/h4-7,11H,2-3,8-9H2,1H3,(H,15,19)(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,13,14,3,7,4,6,12,16,2,15,5,17,9,8,11,18,19,10/E:(4,5)(6,7)(17,18)/rA:19cCCCCCCCNCONCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₈N₂O₃
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	8.53362
Area:	453.462
Solvation:	-2.80293
Coulombic:	-56.43

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	262.304
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	1.41
LogP (Chemaxon):	2.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value