T0J

N~1~-phenylpiperidine-1,4-dicarboxamide

Created:	2020-03-16
Last modified:	2020-03-25

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2 entries where T0J is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	6

2D diagram of T0J

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Chemical Component Summary
Name	N~1~-phenylpiperidine-1,4-dicarboxamide
Systematic Name (OpenEye OEToolkits)	~{N}1-phenylpiperidine-1,4-dicarboxamide
Formula	C₁₃ H₁₇ N₃ O₂
Molecular Weight	247.293
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(N1CCC(C(N)=O)CC1)(Nc2ccccc2)=O
SMILES	CACTVS	3.385	NC(=O)C1CCN(CC1)C(=O)Nc2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)C1CCN(CC1)C(=O)Nc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N
InChI	InChI	1.03	InChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18)
InChIKey	InChI	1.03	OSBGPHZLIBZPGJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	769265
ChEMBL	CHEMBL1569611

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