Chemical ID: 6480941

CC(=O)N1CCC(CC1)Nc2ccc3c(c2)CCN3C(=O)C
Chemical ID:
6480941
Name [?]:
1-[5-[(1-acetyl-4-piperidyl)amino]indolin-1-yl]ethanone
SMILES [?]:
CC(=O)N1CCC(CC1)Nc2ccc3c(c2)CCN3C(=O)C
InChi [?]:
InChI=1/C17H23N3O2/c1-12(21)19-8-6-15(7-9-19)18-16-3-4-17-14(11-16)5-10-20(17)13(2)22/h3-4,11,15,18H,5-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,12,13,17,6,8,5,9,18,16,2,20,15,7,11,14,10,4,19,3,21/E:(6,7)(8,9)/rA:22nCCONCCCCCNCCCCCCCCNCOC/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23N3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.76434
Area:502.396
Solvation:-3.79557
Coulombic:-40.1079
Bond Count [?]
All:24
Single:19
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.384
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.1
LogP (Chemaxon):-0.02

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Descriptor Annotations

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