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Chemical ID: 5999187

COc1ccc(cc1)NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCCCC5

Chemical ID:

5999187

Name [?]:

N-(4-methoxyphenyl)-4-oxo-1-phenyl-3-(1-piperidylcarbonylmethyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide

SMILES [?]:

COc1ccc(cc1)NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCCCC5

InChi [?]:

InChI=1/C28H35N5O4/c1-37-24-12-10-22(11-13-24)29-27(36)31-18-14-28(15-19-31)26(35)32(20-25(34)30-16-6-3-7-17-30)21-33(28)23-8-4-2-5-9-23/h2,4-5,8-13H,3,6-7,14-21H2,1H3,(H,29,36)

InChi Info:

AuxInfo=1/1/N:1,26,35,25,27,34,36,24,28,5,7,4,8,14,16,33,37,13,17,29,21,6,23,3,30,18,10,15,9,32,12,20,22,31,19,11,2/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:37cCOCCCCCCNCONCCCCCCONCNCCCCCCCCONCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s15s21;s22;s23;d24;s25;d26;d23s27;s20;s29;d30;s30;s32;s33;s34;s35;s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₅N₅O₄
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	11.8558
Area:	735.808
Solvation:	-6.53943
Coulombic:	-77.0409

Bond Count [?]

All:	41
Single:	32
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	505.609
H-Bond Donors:	1
H-Bond Acceptors:	9
XLogP:	2.71
LogP (Chemaxon):	2.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value