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Chemical ID: 4443116

Chemical ID:

4443116

Name [?]:

3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-methyl-pyrrolidine-2,5-dione

SMILES [?]:

CN1C(=O)CC(C1=O)N2CCN(CC2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C16H21N3O3/c1-17-15(20)11-14(16(17)21)19-9-7-18(8-10-19)12-3-5-13(22-2)6-4-12/h3-6,14H,7-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,16,20,17,19,11,13,10,14,5,15,18,6,3,7,2,12,9,4,8,21/E:(3,4)(5,6)(7,8)(9,10)/rA:22cCNCOCCCONCCNCCCCCCCCOC/rB:s1;s2;d3;s3;s5;s2s6;d7;s6;s9;s10;s11;s12;s9s13;s12;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₁N₃O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	7.30161
Area:	490.083
Solvation:	-4.95048
Coulombic:	-41.9879

Bond Count [?]

All:	24
Single:	19
Double:	5
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	303.356
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	0.7
LogP (Chemaxon):	0.87

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