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Chemical ID: 5829857

COc1cccc(c1OC)CN2CCC(CC2)C(=O)NCc3ccccc3Cl

Chemical ID:

5829857

Name [?]:

N-[(2-chlorophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide

SMILES [?]:

COc1cccc(c1OC)CN2CCC(CC2)C(=O)NCc3ccccc3Cl

InChi [?]:

InChI=1/C22H27ClN2O3/c1-27-20-9-5-7-18(21(20)28-2)15-25-12-10-16(11-13-25)22(26)24-14-17-6-3-4-8-19(17)23/h3-9,16H,10-15H2,1-2H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,10,24,25,5,23,6,26,4,14,16,13,17,21,11,15,22,7,27,3,8,18,28,20,12,19,2,9/E:(10,11)(12,13)/rA:28nCOCCCCCCOCCNCCCCCCONCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇ClN₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3054
Area:	622.856
Solvation:	-5.266
Coulombic:	-42.441

Bond Count [?]

All:	30
Single:	23
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	402.914
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.37
LogP (Chemaxon):	3.16

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