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Chemical ID: 4204015

Chemical ID:

4204015

Name [?]:

N-benzyl-N-ethyl-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

SMILES [?]:

CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccccc3F

InChi [?]:

InChI=1/C22H27FN2O/c1-2-25(16-18-8-4-3-5-9-18)22(26)19-12-14-24(15-13-19)17-20-10-6-7-11-21(20)23/h3-11,19H,2,12-17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,8,7,9,22,23,6,10,21,24,14,18,15,17,4,19,5,13,20,25,11,26,16,3,12/E:(4,5)(8,9)(12,13)(14,15)/rA:26nCCNCCCCCCCCOCCCNCCCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇FN₂O
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4676
Area:	572.946
Solvation:	-3.85607
Coulombic:	-27.1694

Bond Count [?]

All:	28
Single:	21
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	354.461
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.91
LogP (Chemaxon):	3.87

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