dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid

C83H116K2N18O14S2 — CID 157084280

About dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid

dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid (PubChem CID 157084280) has the molecular formula C83H116K2N18O14S2 and a molecular weight of 1732.28 g/mol. Its IUPAC name is dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid.

Molecular Properties

• Compound Name: dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid
• PubChem CID: 157084280
• Molecular Formula: C83H116K2N18O14S2
• Molecular Weight: 1732.28 g/mol
• Exact Mass: 1730.76
• IUPAC Name: dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid
• SMILES: C.CC(=O)N1CCN(C2CN(C(=O)c3ccc4c(c3)CCCN4)C2)CC1.CC(=O)N1CCN(C2CNC2)CC1.CO.O=C(O)c1ccc2c(c1)CCCN2.O=C(O)c1nccs1.O=C(c1ccc2c(c1)CCCN2)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.O=C(c1ccc2c(c1)CCCN2)N1CC(N2CCNCC2)C1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C21H25N5O2S.C19H26N4O2.C17H24N4O.C10H11NO2.C9H17N3O.C4H3NO2S.CH2O3.CH4O.CH4.2K.H/c27-20(16-3-4-18-15(12-16)2-1-5-22-18)26-13-17(14-26)24-7-9-25(10-8-24)21(28)19-23-6-11-29-19;1-14(24)21-7-9-22(10-8-21)17-12-23(13-17)19(25)16-4-5-18-15(11-16)3-2-6-20-18;22-17(14-3-4-16-13(10-14)2-1-5-19-16)21-11-15(12-21)20-8-6-18-7-9-20;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-8(13)11-2-4-12(5-3-11)9-6-10-7-9;6-4(7)3-5-1-2-8-3;2-1-4-3;1-2;;;;/h3-4,6,11-12,17,22H,1-2,5,7-10,13-14H2;4-5,11,17,20H,2-3,6-10,12-13H2,1H3;3-4,10,15,18-19H,1-2,5-9,11-12H2;3-4,6,11H,1-2,5H2,(H,12,13);9-10H,2-7H2,1H3;1-2H,(H,6,7);1,3H;2H,1H3;1H4;;;/q;;;;;;;;;2*+1;-1/p-1
• InChIKey: ACYMEKIZIDSLTN-UHFFFAOYSA-M
• XLogP: -1.90
• TPSA: 376.97 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1732.28
LogP ≤ 5	-1.90
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid?

The IUPAC name of dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid (CID 157084280) is dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid.

What is the SMILES notation for dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid?

The canonical SMILES for dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid is C.CC(=O)N1CCN(C2CN(C(=O)c3ccc4c(c3)CCCN4)C2)CC1.CC(=O)N1CCN(C2CNC2)CC1.CO.O=C(O)c1ccc2c(c1)CCCN2.O=C(O)c1nccs1.O=C(c1ccc2c(c1)CCCN2)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.O=C(c1ccc2c(c1)CCCN2)N1CC(N2CCNCC2)C1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid?

The InChIKey is ACYMEKIZIDSLTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H25N5O2S.C19H26N4O2.C17H24N4O.C10H11NO2.C9H17N3O.C4H3NO2S.CH2O3.CH4O.CH4.2K.H/c27-20(16-3-4-18-15(12-16)2-1-5-22-18)26-13-17(14-26)24-7-9-25(10-8-24)21(28)19-23-6-11-29-19;1-14(24)21-7-9-22(10-8-21)17-12-23(13-17)19(25)16-4-5-18-15(11-16)3-2-6-20-18;22-17(14-3-4-16-13(10-14)2-1-5-19-16)21-11-15(12-21)20-8-6-18-7-9-20;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9;1-8(13)11-2-4-12(5-3-11)9-6-10-7-9;6-4(7)3-5-1-2-8-3;2-1-4-3;1-2;;;;/h3-4,6,11-12,17,22H,1-2,5,7-10,13-14H2;4-5,11,17,20H,2-3,6-10,12-13H2,1H3;3-4,10,15,18-19H,1-2,5-9,11-12H2;3-4,6,11H,1-2,5H2,(H,12,13);9-10H,2-7H2,1H3;1-2H,(H,6,7);1,3H;2H,1H3;1H4;;;/q;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid?

dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid has a molecular weight of 1732.28 g/mol, XLogP of -1.90, 11 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;hydride;methane;methanol;oxido formate;(3-piperazin-1-ylazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone;1-[4-[1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1,2,3,4-tetrahydroquinoline-6-carboxylic acid;1,2,3,4-tetrahydroquinolin-6-yl-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone;1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 157084280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).