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Chemical ID: 7093364

Chemical ID:

7093364

Name [?]:

1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethyl-piperidine-4-carboxamide

SMILES [?]:

CCN(CC)C(=O)C1CCN(CC1)Cc2cccc(c2OC)OC

InChi [?]:

InChI=1/C19H30N2O3/c1-5-21(6-2)19(22)15-10-12-20(13-11-15)14-16-8-7-9-17(23-3)18(16)24-4/h7-9,15H,5-6,10-14H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,5,24,22,2,4,17,16,18,9,13,10,12,14,8,15,19,20,6,11,3,7,23,21/E:(1,2)(5,6)(10,11)(12,13)/rA:24nCCNCCCOCCCNCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s20;s21;s19;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₀N₂O₃
All Atoms:	54
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.63445
Area:	549.184
Solvation:	-5.09515
Coulombic:	-35.8991

Bond Count [?]

All:	25
Single:	21
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	334.453
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.03
LogP (Chemaxon):	1.79

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value