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Chemical ID: 4380782

Cc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3ccc(cc3OC)OC

Chemical ID:

4380782

Name [?]:

1-[(2,4-dimethoxyphenyl)methyl]-N-(p-tolylmethyl)piperidine-4-carboxamide

SMILES [?]:

Cc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3ccc(cc3OC)OC

InChi [?]:

InChI=1/C23H30N2O3/c1-17-4-6-18(7-5-17)15-24-23(26)19-10-12-25(13-11-19)16-20-8-9-21(27-2)14-22(20)28-3/h4-9,14,19H,10-13,15-16H2,1-3H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,28,26,3,7,4,6,20,21,13,17,14,16,23,8,18,2,5,12,19,22,24,10,9,15,11,27,25/E:(4,5)(6,7)(10,11)(12,13)/rA:28nCCCCCCCCNCOCCCNCCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;s24;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₀N₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4439
Area:	635.688
Solvation:	-5.4483
Coulombic:	-40.7265

Bond Count [?]

All:	30
Single:	23
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	382.496
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.46
LogP (Chemaxon):	3.11

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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