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Chemical ID: 5890354

COc1ccccc1N2CCN(CC2)c3ccc(cc3C(=O)N4CCCCC4)NC(=O)C5CCC5

Chemical ID:

5890354

Name [?]:

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(1-piperidylcarbonyl)phenyl]cyclobutanecarboxamide

SMILES [?]:

COc1ccccc1N2CCN(CC2)c3ccc(cc3C(=O)N4CCCCC4)NC(=O)C5CCC5

InChi [?]:

InChI=1/C28H36N4O3/c1-35-26-11-4-3-10-25(26)31-18-16-30(17-19-31)24-13-12-22(29-27(33)21-8-7-9-21)20-23(24)28(34)32-14-5-2-6-15-32/h3-4,10-13,20-21H,2,5-9,14-19H2,1H3,(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,26,6,5,25,27,34,33,35,7,4,17,16,24,28,11,13,10,14,19,32,18,20,15,8,3,30,21,29,12,9,23,31,22,2/E:(5,6)(8,9)(14,15)(16,17)(18,19)/rA:35nCOCCCCCCNCCNCCCCCCCCCONCCCCCNCOCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;s15;d16;s17;d18;d15s19;s20;d21;s21;s23;s24;s25;s26;s23s27;s18;s29;d30;s30;s32;s33;s32s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₆N₄O₃
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8342
Area:	721.039
Solvation:	-6.19175
Coulombic:	-57.0195

Bond Count [?]

All:	39
Single:	31
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	476.611
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	4.4
LogP (Chemaxon):	4.29

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