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Chemical ID: 4839213

Chemical ID:

4839213

Name [?]:

methyl 4-[2-(4-methyl-1-piperidyl)acetyl]aminobenzoate

SMILES [?]:

CC1CCN(CC1)CC(=O)Nc2ccc(cc2)C(=O)OC

InChi [?]:

InChI=1/C16H22N2O3/c1-12-7-9-18(10-8-12)11-15(19)17-14-5-3-13(4-6-14)16(20)21-2/h3-6,12H,7-11H2,1-2H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,21,14,16,13,17,3,7,4,6,8,2,15,12,9,18,11,5,10,19,20/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCNCCCCONCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₂N₂O₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.09132
Area:	504.879
Solvation:	-3.53066
Coulombic:	-45.0192

Bond Count [?]

All:	22
Single:	17
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	290.358
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.11
LogP (Chemaxon):	1.84

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value