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Chemical ID: 4410918

Cc1ccccc1C(=O)N2CCC(CC2)C(=O)Nc3ccc(c(c3)OC)OC

Chemical ID:

4410918

Name [?]:

N-(3,4-dimethoxyphenyl)-1-(2-methylbenzoyl)-piperidine-4-carboxamide

SMILES [?]:

Cc1ccccc1C(=O)N2CCC(CC2)C(=O)Nc3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C22H26N2O4/c1-15-6-4-5-7-18(15)22(26)24-12-10-16(11-13-24)21(25)23-17-8-9-19(27-2)20(14-17)28-3/h4-9,14,16H,10-13H2,1-3H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,28,26,4,5,3,6,20,21,12,14,11,15,24,2,13,19,7,22,23,16,8,18,10,17,9,27,25/E:(10,11)(12,13)/rA:28nCCCCCCCCONCCCCCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₆N₂O₄
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	8.77291
Area:	606.262
Solvation:	-6.38362
Coulombic:	-51.5737

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	382.453
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.84
LogP (Chemaxon):	2.74

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