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Chemical ID: 5830126

CCCCN(C)C(=O)C1CCN(CC1)Cc2ccc(cc2)OCc3ccccc3

Chemical ID:

5830126

Name [?]:

1-[(4-benzyloxyphenyl)methyl]-N-butyl-N-methyl-piperidine-4-carboxamide

SMILES [?]:

CCCCN(C)C(=O)C1CCN(CC1)Cc2ccc(cc2)OCc3ccccc3

InChi [?]:

InChI=1/C25H34N2O2/c1-3-4-16-26(2)25(28)23-14-17-27(18-15-23)19-21-10-12-24(13-11-21)29-20-22-8-6-5-7-9-22/h5-13,23H,3-4,14-20H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,6,2,3,27,26,28,25,29,17,21,18,20,10,14,4,11,13,15,23,16,24,9,19,7,5,12,8,22/E:(6,7)(8,9)(10,11)(12,13)(14,15)(17,18)/rA:29nCCCCNCCOCCCNCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s12;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₄N₂O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4886
Area:	670.558
Solvation:	-4.27533
Coulombic:	-31.0595

Bond Count [?]

All:	31
Single:	24
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	394.55
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.6
LogP (Chemaxon):	4.34

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value