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Summary Geometry Related PDB entries

ZL3

Summary

Name:	(3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide
Formula:	C14 H21 N3 O3
Formal charge:	0
Formula weight:	279.335 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide
OpenEye OEToolkits	2.0.7	(3~{S})-4-(furan-2-ylcarbonyl)-3-methyl-~{N}-propan-2-yl-piperazine-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N1CCN(CC1C)C(=O)NC(C)C)c1ccco1
InChI	InChI	1.06	InChI=1S/C14H21N3O3/c1-10(2)15-14(19)16-6-7-17(11(3)9-16)13(18)12-5-4-8-20-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,15,19)/t11-/m1/s1
InChIKey	InChI	1.06	VFOPSAKXHHWNTF-LLVKDONJSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)NC(=O)N1CCN([C@@H](C)C1)C(=O)c2occc2
SMILES	CACTVS	3.385	CC(C)NC(=O)N1CCN([CH](C)C1)C(=O)c2occc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@H]1CN(CCN1C(=O)c2ccco2)C(=O)NC(C)C
SMILES	OpenEye OEToolkits	2.0.7	CC1CN(CCN1C(=O)c2ccco2)C(=O)NC(C)C

222415

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