H69

6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione

Created:	2021-07-30
Last modified:	2021-11-10

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1 entries where H69 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	6

2D diagram of H69

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Chemical Component Summary
Name	6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)	6-[4-(3,4-dichlorophenyl)piperidin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione
Formula	C₁₆ H₁₅ Cl₂ N₃ O₃
Molecular Weight	368.215
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C1=CC(=O)NC(=O)N1)N1CCC(CC1)c1ccc(Cl)c(Cl)c1
SMILES	CACTVS	3.385	Clc1ccc(cc1Cl)C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(cc1Cl)C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl
InChI	InChI	1.03	InChI=1S/C16H15Cl2N3O3/c17-11-2-1-10(7-12(11)18)9-3-5-21(6-4-9)15(23)13-8-14(22)20-16(24)19-13/h1-2,7-9H,3-6H2,(H2,19,20,22,24)
InChIKey	InChI	1.03	BOEMYMIXDCTGER-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	156905886

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