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Chemical ID: 6935978

Chemical ID:

6935978

Name [?]:

methyl 1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxylate

SMILES [?]:

COc1ccc(cc1)CC(=O)N2CCC(CC2)C(=O)OC

InChi [?]:

InChI=1/C16H21NO4/c1-20-14-5-3-12(4-6-14)11-15(18)17-9-7-13(8-10-17)16(19)21-2/h3-6,13H,7-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,5,7,4,8,14,16,13,17,9,6,15,3,10,18,12,11,19,2,20/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCOCCCCCCCCONCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₁NO₄
All Atoms:	42
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	7.66703
Area:	500.933
Solvation:	-4.8563
Coulombic:	-40.5754

Bond Count [?]

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

Chemical Properties

Molecular Weight:	291.342
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	1.53
LogP (Chemaxon):	1.14

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