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Chemical ID: 4416061

COc1ccc(cc1)CCNC(=O)C2CCN(CC2)C(=O)Cc3ccccc3

Chemical ID:

4416061

Name [?]:

N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenylacetyl)-piperidine-4-carboxamide

SMILES [?]:

COc1ccc(cc1)CCNC(=O)C2CCN(CC2)C(=O)Cc3ccccc3

InChi [?]:

InChI=1/C23H28N2O3/c1-28-21-9-7-18(8-10-21)11-14-24-23(27)20-12-15-25(16-13-20)22(26)17-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,26,25,27,24,28,5,7,4,8,9,15,19,10,16,18,22,6,23,14,3,20,12,11,17,21,13,2/E:(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:28nCOCCCCCCCCNCOCCCNCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₈N₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8256
Area:	642.22
Solvation:	-5.22991
Coulombic:	-44.7029

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	380.48
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.87
LogP (Chemaxon):	2.51

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