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Chemical ID: 5829945

Cc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3ccc(cc3)OC

Chemical ID:

5829945

Name [?]:

1-[(4-methoxyphenyl)methyl]-N-(p-tolylmethyl)piperidine-4-carboxamide

SMILES [?]:

Cc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3ccc(cc3)OC

InChi [?]:

InChI=1/C22H28N2O2/c1-17-3-5-18(6-4-17)15-23-22(25)20-11-13-24(14-12-20)16-19-7-9-21(26-2)10-8-19/h3-10,20H,11-16H2,1-2H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,26,3,7,4,6,20,24,21,23,13,17,14,16,8,18,2,5,19,12,22,10,9,15,11,25/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:26nCCCCCCCCNCOCCCNCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₂O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9772
Area:	602.855
Solvation:	-4.09412
Coulombic:	-34.5673

Bond Count [?]

All:	28
Single:	21
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	352.47
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.54
LogP (Chemaxon):	3.36

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