O1M

4-(4-fluorophenyl)piperazine-1-carboxamide

Created:	2019-06-04
Last modified:	2019-08-21

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9 entries where O1M is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	6

2D diagram of O1M

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Chemical Component Summary
Name	4-(4-fluorophenyl)piperazine-1-carboxamide
Systematic Name (OpenEye OEToolkits)	4-(4-fluorophenyl)piperazine-1-carboxamide
Formula	C₁₁ H₁₄ F N₃ O
Molecular Weight	223.247
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N2(C(N)=O)CCN(c1ccc(cc1)F)CC2
SMILES	CACTVS	3.385	NC(=O)N1CCN(CC1)c2ccc(F)cc2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1N2CCN(CC2)C(=O)N)F
Canonical SMILES	CACTVS	3.385	NC(=O)N1CCN(CC1)c2ccc(F)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1N2CCN(CC2)C(=O)N)F
InChI	InChI	1.03	InChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)
InChIKey	InChI	1.03	XARVCWHXIZRCGB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	851859

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