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Chemical ID: 6581105

COC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)Cc3ccccc3

Chemical ID:

6581105

Name [?]:

methyl 4-[2-(4-benzyl-1-piperidyl)acetyl]aminobenzoate

SMILES [?]:

COC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)Cc3ccccc3

InChi [?]:

InChI=1/C22H26N2O3/c1-27-22(26)19-7-9-20(10-8-19)23-21(25)16-24-13-11-18(12-14-24)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,25,24,26,23,27,6,10,7,9,17,19,16,20,21,14,22,18,5,8,12,3,11,15,13,4,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCOCOCCCCCCNCOCNCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₆N₂O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3334
Area:	609.881
Solvation:	-3.91366
Coulombic:	-46.7147

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	366.454
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.55
LogP (Chemaxon):	3.45

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