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Chemical ID: 6010694

CCCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCC(CC4)C

Chemical ID:

6010694

Name [?]:

3-[(4-methyl-1-piperidyl)carbonylmethyl]-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

SMILES [?]:

CCCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCC(CC4)C

InChi [?]:

InChI=1/C26H38N4O3/c1-3-4-10-23(31)28-17-13-26(14-18-28)25(33)29(20-30(26)22-8-6-5-7-9-22)19-24(32)27-15-11-21(2)12-16-27/h5-9,21H,3-4,10-20H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,33,2,3,21,20,22,19,23,4,29,31,9,11,28,32,8,12,24,16,30,18,5,25,13,10,27,7,15,17,6,26,14/E:(6,7)(8,9)(11,12)(13,14)(15,16)(17,18)/rA:33cCCCCCONCCCCCCONCNCCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s10s16;s17;s18;d19;s20;d21;d18s22;s15;s24;d25;s25;s27;s28;s29;s30;s27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₈N₄O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	12.305
Area:	696.059
Solvation:	-5.09651
Coulombic:	-56.3667

Bond Count [?]

All:	36
Single:	30
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	454.605
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	3.49
LogP (Chemaxon):	2.58

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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