dipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate

C39H64K2N8O8 — CID 162075529

IUPACdipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate
SMILESCC(=O)OCCn1c(C)cnc(NCCC2CCCCN2CC2CC2)c1=O.Cc1cnc(NCCC2CCCCN2CC2CC2)c(=O)n1CCO.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C20H32N4O3.C18H30N4O2.CH2O3.2K.H/c1-15-13-22-19(20(26)24(15)11-12-27-16(2)25)21-9-8-18-5-3-4-10-23(18)14-17-6-7-17;1-14-12-20-17(18(24)22(14)10-11-23)19-8-7-16-4-2-3-9-21(16)13-15-5-6-15;2-1-4-3;;;/h13,17-18H,3-12,14H2,1-2H3,(H,21,22);12,15-16,23H,2-11,13H2,1H3,(H,19,20);1,3H;;;/q;;;2*+1;-1/p-1
InChIKeyANMJHJFMBLTOAY-UHFFFAOYSA-M
MW851.18 g/mol
LogP-3.65
Rot. Bonds18

About dipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate

dipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate (PubChem CID 162075529) has the molecular formula C39H64K2N8O8 and a molecular weight of 851.18 g/mol. Its IUPAC name is dipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate.

Molecular Properties

Compound Namedipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate
PubChem CID162075529
Molecular FormulaC39H64K2N8O8
Molecular Weight851.18 g/mol
Exact Mass850.41
IUPAC Namedipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate
SMILESCC(=O)OCCn1c(C)cnc(NCCC2CCCCN2CC2CC2)c1=O.Cc1cnc(NCCC2CCCCN2CC2CC2)c(=O)n1CCO.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C20H32N4O3.C18H30N4O2.CH2O3.2K.H/c1-15-13-22-19(20(26)24(15)11-12-27-16(2)25)21-9-8-18-5-3-4-10-23(18)14-17-6-7-17;1-14-12-20-17(18(24)22(14)10-11-23)19-8-7-16-4-2-3-9-21(16)13-15-5-6-15;2-1-4-3;;;/h13,17-18H,3-12,14H2,1-2H3,(H,21,22);12,15-16,23H,2-11,13H2,1H3,(H,19,20);1,3H;;;/q;;;2*+1;-1/p-1
InChIKeyANMJHJFMBLTOAY-UHFFFAOYSA-M
XLogP-3.65
TPSA196.21 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.18
LogP ≤ 5-3.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

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'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate?
The IUPAC name of dipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate (CID 162075529) is dipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate.
What is the SMILES notation for dipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate?
The canonical SMILES for dipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate is CC(=O)OCCn1c(C)cnc(NCCC2CCCCN2CC2CC2)c1=O.Cc1cnc(NCCC2CCCCN2CC2CC2)c(=O)n1CCO.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate?
The InChIKey is ANMJHJFMBLTOAY-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H32N4O3.C18H30N4O2.CH2O3.2K.H/c1-15-13-22-19(20(26)24(15)11-12-27-16(2)25)21-9-8-18-5-3-4-10-23(18)14-17-6-7-17;1-14-12-20-17(18(24)22(14)10-11-23)19-8-7-16-4-2-3-9-21(16)13-15-5-6-15;2-1-4-3;;;/h13,17-18H,3-12,14H2,1-2H3,(H,21,22);12,15-16,23H,2-11,13H2,1H3,(H,19,20);1,3H;;;/q;;;2*+1;-1/p-1.
What are the key properties of dipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate?
dipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate has a molecular weight of 851.18 g/mol, XLogP of -3.65, 18 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-1-(2-hydroxyethyl)-6-methylpyrazin-2-one;2-[3-[2-[1-(cyclopropylmethyl)piperidin-2-yl]ethylamino]-6-methyl-2-oxopyrazin-1-yl]ethyl acetate;hydride;oxido formate is sourced from PubChem (CID 162075529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).