Chemical ID: 7306733

CCCN1CCN(CC1)C(=O)CCc2c[nH]c3c2cccc3
Chemical ID:
7306733
Name [?]:
3-(1H-indol-3-yl)-1-(4-propylpiperazin-1-yl)-propan-1-one
SMILES [?]:
CCCN1CCN(CC1)C(=O)CCc2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C18H25N3O/c1-2-9-20-10-12-21(13-11-20)18(22)8-7-15-14-19-17-6-4-3-5-16(15)17/h3-6,14,19H,2,7-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,21,19,22,13,12,3,5,9,6,8,15,14,18,17,10,16,4,7,11/E:(10,11)(12,13)/rA:22nCCCNCCNCCCOCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s7;d10;s10;s12;s13;d14;s15;s16;s14s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25N3O
All Atoms:47
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4783
Area:527.798
Solvation:-2.71666
Coulombic:-32.0126
Bond Count [?]
All:24
Single:19
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:299.411
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.05
LogP (Chemaxon):2.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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