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Chemical ID: 5829851

Chemical ID:

5829851

Name [?]:

1-benzyl-N-phenethyl-piperidine-4-carboxamide

SMILES [?]:

c1ccc(cc1)CCNC(=O)C2CCN(CC2)Cc3ccccc3

InChi [?]:

InChI=1/C21H26N2O/c24-21(22-14-11-18-7-3-1-4-8-18)20-12-15-23(16-13-20)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,22,2,6,21,23,3,5,20,24,7,13,17,8,14,16,18,4,19,12,10,9,15,11/E:(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:24nCCCCCCCCNCOCCCNCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆N₂O
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3142
Area:	568.07
Solvation:	-2.8876
Coulombic:	-28.4825

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	322.444
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.35
LogP (Chemaxon):	3.4

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