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Chemical ID: 6010985

CC1CCN(CC1)C(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)Nc4ccc(cc4)C(C)C)c5ccccc5

Chemical ID:

6010985

Name [?]:

3-[(4-methyl-1-piperidyl)carbonylmethyl]-N,N-bis[3-[(4-methyl-1-piperidyl)carbonylmethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-9-yl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

SMILES [?]:

CC1CCN(CC1)C(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)Nc4ccc(cc4)C(C)C)c5ccccc5

InChi [?]:

InChI=1/C31H41N5O3/c1-23(2)25-9-11-26(12-10-25)32-30(39)34-19-15-31(16-20-34)29(38)35(22-36(31)27-7-5-4-6-8-27)21-28(37)33-17-13-24(3)14-18-33/h4-12,23-24H,13-22H2,1-3H3,(H,32,39)

InChi Info:

AuxInfo=1/1/N:32,33,1,37,36,38,35,39,27,29,26,30,3,7,17,21,4,6,18,20,10,12,31,2,28,25,34,8,15,22,14,24,5,19,11,13,9,16,23/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:39cCCCCNCCCOCNCNCCOCCNCCCONCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;s13;s11s14;d15;s14;s17;s18;s19;s14s20;s19;d22;s22;s24;s25;d26;s27;d28;d25s29;s28;s31;s31;s13;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₄₁N₅O₃
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	1

ZAP Information [?]

Total:	15.0384
Area:	782.914
Solvation:	-4.53446
Coulombic:	-72.295

Bond Count [?]

All:	43
Single:	34
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	531.689
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	4.71
LogP (Chemaxon):	4.48

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