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Summary Geometry Related PDB entries

Y0D

Summary

Name:	N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
Formula:	C14 H19 N3 O2 S
Formal charge:	0
Formula weight:	293.385 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-(cyclopropylmethyl)-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(CC1CC1)C(N3CCN(C(=O)c2cccs2)CC3)=O
InChI	InChI	1.03	InChI=1S/C14H19N3O2S/c18-13(12-2-1-9-20-12)16-5-7-17(8-6-16)14(19)15-10-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,15,19)
InChIKey	InChI	1.03	JVDHYYWAYKTYDN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(NCC1CC1)N2CCN(CC2)C(=O)c3sccc3
SMILES	CACTVS	3.385	O=C(NCC1CC1)N2CCN(CC2)C(=O)c3sccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3

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