Chemical ID: 7356768

c1cc2c(cc1NC(=O)CN3CCC(CC3)C(=O)N)OCO2
Chemical ID:
7356768
Name [?]:
1-(benzo[1,3]dioxol-5-ylcarbamoylmethyl)piperidine-4-carboxamide
SMILES [?]:
c1cc2c(cc1NC(=O)CN3CCC(CC3)C(=O)N)OCO2
InChi [?]:
InChI=1/C15H19N3O4/c16-15(20)10-3-5-18(6-4-10)8-14(19)17-11-1-2-12-13(7-11)22-9-21-12/h1-2,7,10H,3-6,8-9H2,(H2,16,20)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,13,15,12,16,5,10,21,14,6,3,4,8,17,19,7,11,9,18,22,20/E:(3,4)(5,6)/rA:22nCCCCCCNCOCNCCCCCCONOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s14;d17;s17;s4;s20;s3s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3O4
All Atoms:41
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.77266
Area:497.748
Solvation:-5.67105
Coulombic:-64.1934
Bond Count [?]
All:24
Single:19
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:305.329
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:-0.25
LogP (Chemaxon):0.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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