Chemical ID: 6133274

CC(=O)c1cc2c(cc1NC(=O)CN3CCC(CC3)C(=O)N)OCO2
Chemical ID:
6133274
Name [?]:
1-[(6-acetylbenzo[1,3]dioxol-5-yl)carbamoylmethyl]piperidine-4-carboxamide
SMILES [?]:
CC(=O)c1cc2c(cc1NC(=O)CN3CCC(CC3)C(=O)N)OCO2
InChi [?]:
InChI=1/C17H21N3O5/c1-10(21)12-6-14-15(25-9-24-14)7-13(12)19-16(22)8-20-4-2-11(3-5-20)17(18)23/h6-7,11H,2-5,8-9H2,1H3,(H2,18,23)(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,16,18,15,19,5,8,13,24,2,17,4,9,6,7,11,20,22,10,14,3,12,21,25,23/E:(2,3)(4,5)/rA:25nCCOCCCCCCNCOCNCCCCCCONOCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s17;d20;s20;s7;s23;s6s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21N3O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.31272
Area:543.45
Solvation:-6.27352
Coulombic:-70.845
Bond Count [?]
All:27
Single:21
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:347.366
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:0.02
LogP (Chemaxon):0.07

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Descriptor Annotations

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