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Chemical ID: 4203988

Chemical ID:

4203988

Name [?]:

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

SMILES [?]:

COc1ccc(cc1)CN2CCC(CC2)C(=O)NCCc3ccccc3

InChi [?]:

InChI=1/C22H28N2O2/c1-26-21-9-7-19(8-10-21)17-24-15-12-20(13-16-24)22(25)23-14-11-18-5-3-2-4-6-18/h2-10,20H,11-17H2,1H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,24,23,25,22,26,5,7,4,8,20,12,14,19,11,15,9,21,6,13,3,16,18,10,17,2/E:(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:26nCOCCCCCCCNCCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.8753
Area:	606.837
Solvation:	-4.29563
Coulombic:	-34.6903

Bond Count [?]

All:	28
Single:	21
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	352.47
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.26
LogP (Chemaxon):	3.14

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

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Chemical Mix	Source	External ID	Descriptor	Value