ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one

C121H137F4N23O17 — CID 158571896

IUPACethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESCCOC(=O)C1(CCc2ccccc2)CCN(Cc2ncc[nH]c2=O)CC1.Cc1ccc(-c2ccccc2)n1CC1(O)CCN(Cc2ncc[nH]c2=O)CC1.O=C(NCC1(O)CCN(Cc2ncc[nH]c2=O)CC1)c1ccccc1F.O=C(c1ccccc1F)N(CC1(O)CCN(Cc2ncc[nH]c2=O)CC1)C(=O)c1ccccc1F.O=c1[nH]ccnc1CN1CCC(O)(COc2ccccc2F)CC1.O=c1[nH]ccnc1CN1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C25H24F2N4O4.C22H26N4O2.C21H27N3O3.C18H21FN4O3.C18H19N5O2.C17H20FN3O3/c26-19-7-3-1-5-17(19)23(33)31(24(34)18-6-2-4-8-20(18)27)16-25(35)9-13-30(14-10-25)15-21-22(32)29-12-11-28-21;1-17-7-8-20(18-5-3-2-4-6-18)26(17)16-22(28)9-13-25(14-10-22)15-19-21(27)24-12-11-23-19;1-2-27-20(26)21(9-8-17-6-4-3-5-7-17)10-14-24(15-11-21)16-18-19(25)23-13-12-22-18;19-14-4-2-1-3-13(14)16(24)22-12-18(26)5-9-23(10-6-18)11-15-17(25)21-8-7-20-15;24-17-15(19-8-9-20-17)12-23-10-6-14(7-11-23)18-21-16(22-25-18)13-4-2-1-3-5-13;18-13-3-1-2-4-15(13)24-12-17(23)5-9-21(10-6-17)11-14-16(22)20-8-7-19-14/h1-8,11-12,35H,9-10,13-16H2,(H,29,32);2-8,11-12,28H,9-10,13-16H2,1H3,(H,24,27);3-7,12-13H,2,8-11,14-16H2,1H3,(H,23,25);1-4,7-8,26H,5-6,9-12H2,(H,21,25)(H,22,24);1-5,8-9,14H,6-7,10-12H2,(H,20,24);1-4,7-8,23H,5-6,9-12H2,(H,20,22)
InChIKeyHSEIHOYUPXUBAA-UHFFFAOYSA-N
MW2261.56 g/mol
LogP11.66
Rot. Bonds32

About ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one

ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 158571896) has the molecular formula C121H137F4N23O17 and a molecular weight of 2261.56 g/mol. Its IUPAC name is ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Nameethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one
PubChem CID158571896
Molecular FormulaC121H137F4N23O17
Molecular Weight2261.56 g/mol
Exact Mass2260.05
IUPAC Nameethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESCCOC(=O)C1(CCc2ccccc2)CCN(Cc2ncc[nH]c2=O)CC1.Cc1ccc(-c2ccccc2)n1CC1(O)CCN(Cc2ncc[nH]c2=O)CC1.O=C(NCC1(O)CCN(Cc2ncc[nH]c2=O)CC1)c1ccccc1F.O=C(c1ccccc1F)N(CC1(O)CCN(Cc2ncc[nH]c2=O)CC1)C(=O)c1ccccc1F.O=c1[nH]ccnc1CN1CCC(O)(COc2ccccc2F)CC1.O=c1[nH]ccnc1CN1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C25H24F2N4O4.C22H26N4O2.C21H27N3O3.C18H21FN4O3.C18H19N5O2.C17H20FN3O3/c26-19-7-3-1-5-17(19)23(33)31(24(34)18-6-2-4-8-20(18)27)16-25(35)9-13-30(14-10-25)15-21-22(32)29-12-11-28-21;1-17-7-8-20(18-5-3-2-4-6-18)26(17)16-22(28)9-13-25(14-10-22)15-19-21(27)24-12-11-23-19;1-2-27-20(26)21(9-8-17-6-4-3-5-7-17)10-14-24(15-11-21)16-18-19(25)23-13-12-22-18;19-14-4-2-1-3-13(14)16(24)22-12-18(26)5-9-23(10-6-18)11-15-17(25)21-8-7-20-15;24-17-15(19-8-9-20-17)12-23-10-6-14(7-11-23)18-21-16(22-25-18)13-4-2-1-3-5-13;18-13-3-1-2-4-15(13)24-12-17(23)5-9-21(10-6-17)11-14-16(22)20-8-7-19-14/h1-8,11-12,35H,9-10,13-16H2,(H,29,32);2-8,11-12,28H,9-10,13-16H2,1H3,(H,24,27);3-7,12-13H,2,8-11,14-16H2,1H3,(H,23,25);1-4,7-8,26H,5-6,9-12H2,(H,21,25)(H,22,24);1-5,8-9,14H,6-7,10-12H2,(H,20,24);1-4,7-8,23H,5-6,9-12H2,(H,20,22)
InChIKeyHSEIHOYUPXUBAA-UHFFFAOYSA-N
XLogP11.66
TPSA520.72 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002261.56
LogP ≤ 511.66
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 158544723
5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 159188998
5-Amino-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-(dimethylamino)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-5-[3-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3-oxopropyl]-1,3-oxazolidin-2-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-(methylamino)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-(4-methoxyphenyl)pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pentan-1-one
CID 159389382
2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[2-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 160394947

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 158571896) is ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one is CCOC(=O)C1(CCc2ccccc2)CCN(Cc2ncc[nH]c2=O)CC1.Cc1ccc(-c2ccccc2)n1CC1(O)CCN(Cc2ncc[nH]c2=O)CC1.O=C(NCC1(O)CCN(Cc2ncc[nH]c2=O)CC1)c1ccccc1F.O=C(c1ccccc1F)N(CC1(O)CCN(Cc2ncc[nH]c2=O)CC1)C(=O)c1ccccc1F.O=c1[nH]ccnc1CN1CCC(O)(COc2ccccc2F)CC1.O=c1[nH]ccnc1CN1CCC(c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is HSEIHOYUPXUBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O4.C22H26N4O2.C21H27N3O3.C18H21FN4O3.C18H19N5O2.C17H20FN3O3/c26-19-7-3-1-5-17(19)23(33)31(24(34)18-6-2-4-8-20(18)27)16-25(35)9-13-30(14-10-25)15-21-22(32)29-12-11-28-21;1-17-7-8-20(18-5-3-2-4-6-18)26(17)16-22(28)9-13-25(14-10-22)15-19-21(27)24-12-11-23-19;1-2-27-20(26)21(9-8-17-6-4-3-5-7-17)10-14-24(15-11-21)16-18-19(25)23-13-12-22-18;19-14-4-2-1-3-13(14)16(24)22-12-18(26)5-9-23(10-6-18)11-15-17(25)21-8-7-20-15;24-17-15(19-8-9-20-17)12-23-10-6-14(7-11-23)18-21-16(22-25-18)13-4-2-1-3-5-13;18-13-3-1-2-4-15(13)24-12-17(23)5-9-21(10-6-17)11-14-16(22)20-8-7-19-14/h1-8,11-12,35H,9-10,13-16H2,(H,29,32);2-8,11-12,28H,9-10,13-16H2,1H3,(H,24,27);3-7,12-13H,2,8-11,14-16H2,1H3,(H,23,25);1-4,7-8,26H,5-6,9-12H2,(H,21,25)(H,22,24);1-5,8-9,14H,6-7,10-12H2,(H,20,24);1-4,7-8,23H,5-6,9-12H2,(H,20,22).
What are the key properties of ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one?
ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 2261.56 g/mol, XLogP of 11.66, 32 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 158571896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).