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Chemical ID: 6039287

Chemical ID:

6039287

Name [?]:

1-(5-methylpyrazin-2-yl)carbonyl-N-propyl-piperidine-3-carboxamide

SMILES [?]:

CCCNC(=O)C1CCCN(C1)C(=O)c2cnc(cn2)C

InChi [?]:

InChI=1/C15H22N4O2/c1-3-6-16-14(20)12-5-4-7-19(10-12)15(21)13-9-17-11(2)8-18-13/h8-9,12H,3-7,10H2,1-2H3,(H,16,20)

InChi Info:

AuxInfo=1/1/N:1,21,2,9,8,3,10,19,16,12,18,7,15,5,13,4,17,20,11,6,14/rA:21cCCCNCOCCCCNCCOCCNCCNC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s11;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₂N₄O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	9.77219
Area:	507.32
Solvation:	-2.9108
Coulombic:	-48.2916

Bond Count [?]

All:	22
Single:	17
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	290.361
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	0.44
LogP (Chemaxon):	-0.47

Name Annotations

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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