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Chemical ID: 5830273

Chemical ID:

5830273

Name [?]:

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

SMILES [?]:

CN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccccc3O

InChi [?]:

InChI=1/C21H26N2O2/c1-22(15-17-7-3-2-4-8-17)21(25)18-11-13-23(14-12-18)16-19-9-5-6-10-20(19)24/h2-10,18,24H,11-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,7,6,8,21,22,5,9,20,23,13,17,14,16,3,18,4,12,19,24,10,2,15,25,11/E:(3,4)(7,8)(11,12)(13,14)/rA:25nCNCCCCCCCCOCCCNCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆N₂O₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2916
Area:	555.836
Solvation:	-3.60432
Coulombic:	-39.1749

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	338.443
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.92
LogP (Chemaxon):	3.11

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