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Chemical ID: 6616650

CCOc1ccccc1NC(=O)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)OC

Chemical ID:

6616650

Name [?]:

1-(3,4-dimethoxybenzoyl)-N-(2-ethoxyphenyl)-piperidine-4-carboxamide

SMILES [?]:

CCOc1ccccc1NC(=O)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C23H28N2O5/c1-4-30-19-8-6-5-7-18(19)24-22(26)16-11-13-25(14-12-16)23(27)17-9-10-20(28-2)21(15-17)29-3/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,30,28,2,7,6,8,5,22,23,14,18,15,17,26,13,21,9,4,24,25,11,19,10,16,12,20,29,27,3/E:(11,12)(13,14)/rA:30nCCOCCCCCCNCOCCCNCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₈N₂O₅
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	8.94226
Area:	651.274
Solvation:	-7.3396
Coulombic:	-58.9661

Bond Count [?]

All:	32
Single:	24
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	412.479
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.74
LogP (Chemaxon):	2.37

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