Chemical ID: 6935030

CCCC(C)C(=O)N1CCC(CC1)C(=O)OCC
Chemical ID:
6935030
Name [?]:
ethyl 1-(2-methylpentanoyl)piperidine-4-carboxylate
SMILES [?]:
CCCC(C)C(=O)N1CCC(CC1)C(=O)OCC
InChi [?]:
InChI=1/C14H25NO3/c1-4-6-11(3)13(16)15-9-7-12(8-10-15)14(17)18-5-2/h11-12H,4-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,5,2,17,3,10,12,9,13,4,11,6,14,8,7,15,16/E:(7,8)(9,10)/rA:18cCCCCCCONCCCCCCOOCC/rB:s1;s2;s3;s4;s4;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H25NO3
All Atoms:43
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.11899
Area:473.045
Solvation:-2.70714
Coulombic:-34.6397
Bond Count [?]
All:18
Single:16
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:255.353
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.2
LogP (Chemaxon):1.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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