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Chemical ID: 3885192

Chemical ID:

3885192

Name [?]:

(8-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-(4-methyl-1-piperidyl)-methanone

SMILES [?]:

Cc1c(n2ccccc2n1)C(=O)N3CCC(CC3)C

InChi [?]:

InChI=1/C15H19N3O/c1-11-6-9-17(10-7-11)15(19)14-12(2)16-13-5-3-4-8-18(13)14/h3-5,8,11H,6-7,9-10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:19,1,7,6,8,15,17,5,14,18,16,2,9,3,11,10,13,4,12/E:(6,7)(9,10)/rA:19nCCCNCCCCCNCONCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;s4s8;s2d9;s3;d11;s11;s13;s14;s15;s16;s13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₉N₃O
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.89653
Area:	433.156
Solvation:	-1.93238
Coulombic:	-29.7285

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	257.331
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.16
LogP (Chemaxon):	1.47

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