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Chemical ID: 7328864

Chemical ID:

7328864

Name [?]:

N-[2-(4-benzoylpiperazin-1-yl)carbonylethyl]acetamide

SMILES [?]:

CC(=O)NCCC(=O)N1CCN(CC1)C(=O)c2ccccc2

InChi [?]:

InChI=1/C16H21N3O3/c1-13(20)17-8-7-15(21)18-9-11-19(12-10-18)16(22)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,17,20)

InChi Info:

AuxInfo=1/1/N:1,20,19,21,18,22,6,5,10,14,11,13,2,17,7,15,4,9,12,3,8,16/E:(3,4)(5,6)(9,10)(11,12)/rA:22nCCONCCCONCCNCCCOCCCCCC/rB:s1;d2;s2;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₁N₃O₃
All Atoms:	43
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.67769
Area:	524.029
Solvation:	-4.42303
Coulombic:	-52.2304

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	303.356
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	0.33
LogP (Chemaxon):	-0.6

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value