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Chemical ID: 6038843

CC1CCCCN1CCCNC(=O)CCN(Cc2ccccc2)C(=O)c3cnccn3

Chemical ID:

6038843

Name [?]:

N-benzyl-N-[2-[3-(2-methyl-1-piperidyl)propylcarbamoyl]ethyl]pyrazine-2-carboxamide

SMILES [?]:

CC1CCCCN1CCCNC(=O)CCN(Cc2ccccc2)C(=O)c3cnccn3

InChi [?]:

InChI=1/C24H33N5O2/c1-20-8-5-6-15-28(20)16-7-12-27-23(30)11-17-29(19-21-9-3-2-4-10-21)24(31)22-18-25-13-14-26-22/h2-4,9-10,13-14,18,20H,5-8,11-12,15-17,19H2,1H3,(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,4,5,9,3,19,23,14,10,29,30,6,8,15,27,17,2,18,26,12,24,28,31,11,7,16,13,25/E:(3,4)(9,10)/rA:31cCCCCCCNCCCNCOCCNCCCCCCCCOCCNCCN/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s16;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₃N₅O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	2

ZAP Information [?]

Total:	13.1
Area:	678.913
Solvation:	-3.87282
Coulombic:	-54.5165

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	423.551
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.21
LogP (Chemaxon):	1.01

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