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Chemical ID: 4198970

Chemical ID:

4198970

Name [?]:

N-phenyl-2-(3-pyridyl)piperidine-1-carboxamide

SMILES [?]:

c1ccc(cc1)NC(=O)N2CCCCC2c3cccnc3

InChi [?]:

InChI=1/C17H19N3O/c21-17(19-15-8-2-1-3-9-15)20-12-5-4-10-16(20)14-7-6-11-18-13-14/h1-3,6-9,11,13,16H,4-5,10,12H2,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,2,6,13,12,18,17,3,5,14,19,11,21,16,4,15,8,20,7,10,9/E:(2,3)(8,9)/rA:21cCCCCCCNCONCCCCCCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s10s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉N₃O
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	8.7255
Area:	458.417
Solvation:	-2.73493
Coulombic:	-35.4494

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	281.352
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.48
LogP (Chemaxon):	2.85

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value