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Chemical ID: 7398197

Chemical ID:

7398197

Name [?]:

3-[(4-phenyl-1-piperidyl)carbonylmethyl]piperazin-2-one

SMILES [?]:

c1ccc(cc1)C2CCN(CC2)C(=O)CC3C(=O)NCCN3

InChi [?]:

InChI=1/C17H23N3O2/c21-16(12-15-17(22)19-9-8-18-15)20-10-6-14(7-11-20)13-4-2-1-3-5-13/h1-5,14-15,18H,6-12H2,(H,19,22)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,8,12,21,20,9,11,15,4,7,16,13,17,22,19,10,14,18/E:(2,3)(4,5)(6,7)(10,11)/rA:22cCCCCCCCCCNCCCOCCCONCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s16;d17;s17;s19;s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₃N₃O₂
All Atoms:	45
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	9.64988
Area:	503.415
Solvation:	-2.93551
Coulombic:	-46.5895

Bond Count [?]

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

Chemical Properties

Molecular Weight:	301.384
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	0.61
LogP (Chemaxon):	0.36

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