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Chemical ID: 5896845

CC1CCN(CC1)C(=O)c2cc(ccc2N3CCCCC3)NC(=O)Nc4cccc(c4)F

Chemical ID:

5896845

Name [?]:

3-(3-fluorophenyl)-1-[3-[(4-methyl-1-piperidyl)carbonyl]-4-(1-piperidyl)phenyl]-urea

SMILES [?]:

CC1CCN(CC1)C(=O)c2cc(ccc2N3CCCCC3)NC(=O)Nc4cccc(c4)F

InChi [?]:

InChI=1/C25H31FN4O2/c1-18-10-14-30(15-11-18)24(31)22-17-21(8-9-23(22)29-12-3-2-4-13-29)28-25(32)27-20-7-5-6-19(26)16-20/h5-9,16-18H,2-4,10-15H2,1H3,(H2,27,28,32)

InChi Info:

AuxInfo=1/1/N:1,19,18,20,28,29,27,13,14,3,7,17,21,4,6,31,11,2,30,26,12,10,15,8,23,32,25,22,16,5,9,24/E:(3,4)(10,11)(12,13)(14,15)/rA:32nCCCCNCCCOCCCCCCNCCCCCNCONCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s12;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₁FN₄O₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6035
Area:	656.298
Solvation:	-4.80396
Coulombic:	-60.9059

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	438.538
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.64
LogP (Chemaxon):	4.83

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

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Chemical Mix	Source	External ID	Descriptor	Value