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Chemical ID: 5830113

Chemical ID:

5830113

Name [?]:

1-[(4-diethylaminophenyl)methyl]-N-isopropyl-piperidine-4-carboxamide

SMILES [?]:

CCN(CC)c1ccc(cc1)CN2CCC(CC2)C(=O)NC(C)C

InChi [?]:

InChI=1/C20H33N3O/c1-5-23(6-2)19-9-7-17(8-10-19)15-22-13-11-18(12-14-22)20(24)21-16(3)4/h7-10,16,18H,5-6,11-15H2,1-4H3,(H,21,24)

InChi Info:

AuxInfo=1/1/N:1,5,23,24,2,4,8,10,7,11,15,17,14,18,12,22,9,16,6,19,21,13,3,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:24nCCNCCCCCCCCCNCCCCCCONCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₃₃N₃O
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6749
Area:	581.925
Solvation:	-2.87322
Coulombic:	-32.4137

Bond Count [?]

All:	25
Single:	21
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	331.496
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.42
LogP (Chemaxon):	3.07

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