Chemical ID: 5562464

CC(C)(C)NC(=O)C1CCN(CC1)Cc2cccnc2
Chemical ID:
5562464
Name [?]:
1-(3-pyridylmethyl)-N-tert-butyl-piperidine-4-carboxamide
SMILES [?]:
CC(C)(C)NC(=O)C1CCN(CC1)Cc2cccnc2
InChi [?]:
InChI=1/C16H25N3O/c1-16(2,3)18-15(20)14-6-9-19(10-7-14)12-13-5-4-8-17-11-13/h4-5,8,11,14H,6-7,9-10,12H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,16,9,13,18,10,12,20,14,15,8,6,2,19,5,11,7/E:(1,2,3)(6,7)(9,10)/rA:20nCCCCNCOCCCNCCCCCCCNC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25N3O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.08891
Area:482.827
Solvation:-2.98177
Coulombic:-29.7169
Bond Count [?]
All:21
Single:17
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:275.389
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.53
LogP (Chemaxon):0.89

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Descriptor Annotations

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