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Chemical ID: 7261784

COc1ccc(cc1OC)NC(=O)CN2CCC(CC2)Cc3ccccc3

Chemical ID:

7261784

Name [?]:

2-(4-benzyl-1-piperidyl)-N-(3,4-dimethoxyphenyl)-acetamide

SMILES [?]:

COc1ccc(cc1OC)NC(=O)CN2CCC(CC2)Cc3ccccc3

InChi [?]:

InChI=1/C22H28N2O3/c1-26-20-9-8-19(15-21(20)27-2)23-22(25)16-24-12-10-18(11-13-24)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,10,25,24,26,23,27,5,4,17,19,16,20,21,7,14,22,18,6,3,8,12,11,15,13,2,9/E:(4,5)(6,7)(10,11)(12,13)/rA:27nCOCCCCCCOCNCOCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₂O₃
All Atoms:	55
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	8.74541
Area:	603.353
Solvation:	-6.33841
Coulombic:	-40.2561

Bond Count [?]

All:	29
Single:	22
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	368.469
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.18
LogP (Chemaxon):	3.4

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value