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Chemical ID: 5830341

Chemical ID:

5830341

Name [?]:

N,1-dibenzyl-N-methyl-piperidine-4-carboxamide

SMILES [?]:

CN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccccc3

InChi [?]:

InChI=1/C21H26N2O/c1-22(16-18-8-4-2-5-9-18)21(24)20-12-14-23(15-13-20)17-19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,7,22,6,8,21,23,5,9,20,24,13,17,14,16,3,18,4,19,12,10,2,15,11/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:24nCNCCCCCCCCOCCCNCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆N₂O
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6469
Area:	543.679
Solvation:	-2.94504
Coulombic:	-23.7148

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	322.444
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.33
LogP (Chemaxon):	3.39

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value