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Chemical ID: 5829884

Chemical ID:

5829884

Name [?]:

1-[(2,5-dimethoxyphenyl)methyl]-N-sec-butyl-piperidine-4-carboxamide

SMILES [?]:

CCC(C)NC(=O)C1CCN(CC1)Cc2cc(ccc2OC)OC

InChi [?]:

InChI=1/C19H30N2O3/c1-5-14(2)20-19(22)15-8-10-21(11-9-15)13-16-12-17(23-3)6-7-18(16)24-4/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,4,24,22,2,18,19,9,13,10,12,16,14,3,8,15,17,20,6,5,11,7,23,21/E:(8,9)(10,11)/rA:24cCCCCNCOCCCNCCCCCCCCCOCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s20;s21;s17;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₀N₂O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	8.90173
Area:	566.214
Solvation:	-5.25361
Coulombic:	-39.366

Bond Count [?]

All:	25
Single:	21
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	334.453
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.55
LogP (Chemaxon):	2.09

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