Chemical ID: 5621158

c1ccc(cc1)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4
Chemical ID:
5621158
Name [?]:
1-adamantyl-(4-phenylpiperazin-1-yl)-methanone
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C21H28N2O/c24-20(21-13-16-10-17(14-21)12-18(11-16)15-21)23-8-6-22(7-9-23)19-4-2-1-3-5-19/h1-5,16-18H,6-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,12,9,11,18,21,23,20,16,24,19,17,22,4,13,15,7,10,14/E:(2,3)(4,5)(6,7)(8,9)(10,11,12)(13,14,15)(16,17,18)/rA:24nCCCCCCNCCNCCCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s16;s17;s18;s15s19;s19;s21;s17s22;s15s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28N2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0069
Area:492.88
Solvation:-2.3151
Coulombic:-24.6044
Bond Count [?]
All:28
Single:24
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:324.46
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.62
LogP (Chemaxon):3.94

Name Annotations

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Descriptor Annotations

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