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Chemical ID: 4086587

Chemical ID:

4086587

Name [?]:

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-oxo-piperidine-3-carboxamide

SMILES [?]:

c1cc2c(cc1O)c(c[nH]2)CCNC(=O)C3CCCNC3=O

InChi [?]:

InChI=1/C16H19N3O3/c20-11-3-4-14-13(8-11)10(9-19-14)5-7-18-16(22)12-2-1-6-17-15(12)21/h3-4,8-9,12,19-20H,1-2,5-7H2,(H,17,21)(H,18,22)

InChi Info:

AuxInfo=1/1/N:18,17,1,2,11,19,12,5,9,8,6,16,4,3,21,14,20,13,10,7,22,15/rA:22cCCCCCCOCCNCCNCOCCCCNCO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s3s9;s8;s11;s12;s13;d14;s14;s16;s17;s18;s19;s16s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₉N₃O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	8.57775
Area:	506.102
Solvation:	-4.07481
Coulombic:	-67.0764

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	301.34
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	0.53
LogP (Chemaxon):	1.07

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value