3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

C133H157F6N23O19 — CID 157068727

IUPAC3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESCC(C(=O)C1CCN(Cc2ncc[nH]c2=O)CC1)c1ccccc1F.CC(c1ncc[nH]c1=O)N1CCC(C(=O)Cc2ccccc2F)CC1.CCCOc1ccccc1CC(=O)C1CCN(Cc2ncc[nH]c2=O)CC1.CCOc1ccccc1CC(=O)C1CCN(Cc2ncc[nH]c2=O)CC1.Cc1ccc2c(n1)CN(C1CCN(Cc3ncc[nH]c3=O)CC1)C(=O)O2.O=C(Cc1ccccc1OC(F)(F)F)C1CCN(Cc2ncc[nH]c2=O)CC1.O=c1[nH]ccnc1CN1CC[C@@H](O)[C@@H](COc2ccccc2F)C1
InChIInChI=1S/C21H27N3O3.C20H25N3O3.C19H20F3N3O3.2C19H22FN3O2.C18H21N5O3.C17H20FN3O3/c1-2-13-27-20-6-4-3-5-17(20)14-19(25)16-7-11-24(12-8-16)15-18-21(26)23-10-9-22-18;1-2-26-19-6-4-3-5-16(19)13-18(24)15-7-11-23(12-8-15)14-17-20(25)22-10-9-21-17;20-19(21,22)28-17-4-2-1-3-14(17)11-16(26)13-5-9-25(10-6-13)12-15-18(27)24-8-7-23-15;1-13(15-4-2-3-5-16(15)20)18(24)14-6-10-23(11-7-14)12-17-19(25)22-9-8-21-17;1-13(18-19(25)22-9-8-21-18)23-10-6-14(7-11-23)17(24)12-15-4-2-3-5-16(15)20;1-12-2-3-16-14(21-12)11-23(18(25)26-16)13-4-8-22(9-5-13)10-15-17(24)20-7-6-19-15;18-13-3-1-2-4-16(13)24-11-12-9-21(8-5-15(12)22)10-14-17(23)20-7-6-19-14/h3-6,9-10,16H,2,7-8,11-15H2,1H3,(H,23,26);3-6,9-10,15H,2,7-8,11-14H2,1H3,(H,22,25);1-4,7-8,13H,5-6,9-12H2,(H,24,27);2*2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,22,25);2-3,6-7,13H,4-5,8-11H2,1H3,(H,20,24);1-4,6-7,12,15,22H,5,8-11H2,(H,20,23)/t;;;;;;12-,15-/m......1/s1
InChIKeyACEIMLVTOSCMEC-XAAWJKJRSA-N
MW2495.85 g/mol
LogP15.08
Rot. Bonds39

About 3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 157068727) has the molecular formula C133H157F6N23O19 and a molecular weight of 2495.85 g/mol. Its IUPAC name is 3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
PubChem CID157068727
Molecular FormulaC133H157F6N23O19
Molecular Weight2495.85 g/mol
Exact Mass2494.19
IUPAC Name3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESCC(C(=O)C1CCN(Cc2ncc[nH]c2=O)CC1)c1ccccc1F.CC(c1ncc[nH]c1=O)N1CCC(C(=O)Cc2ccccc2F)CC1.CCCOc1ccccc1CC(=O)C1CCN(Cc2ncc[nH]c2=O)CC1.CCOc1ccccc1CC(=O)C1CCN(Cc2ncc[nH]c2=O)CC1.Cc1ccc2c(n1)CN(C1CCN(Cc3ncc[nH]c3=O)CC1)C(=O)O2.O=C(Cc1ccccc1OC(F)(F)F)C1CCN(Cc2ncc[nH]c2=O)CC1.O=c1[nH]ccnc1CN1CC[C@@H](O)[C@@H](COc2ccccc2F)C1
InChIInChI=1S/C21H27N3O3.C20H25N3O3.C19H20F3N3O3.2C19H22FN3O2.C18H21N5O3.C17H20FN3O3/c1-2-13-27-20-6-4-3-5-17(20)14-19(25)16-7-11-24(12-8-16)15-18-21(26)23-10-9-22-18;1-2-26-19-6-4-3-5-16(19)13-18(24)15-7-11-23(12-8-15)14-17-20(25)22-10-9-21-17;20-19(21,22)28-17-4-2-1-3-14(17)11-16(26)13-5-9-25(10-6-13)12-15-18(27)24-8-7-23-15;1-13(15-4-2-3-5-16(15)20)18(24)14-6-10-23(11-7-14)12-17-19(25)22-9-8-21-17;1-13(18-19(25)22-9-8-21-18)23-10-6-14(7-11-23)17(24)12-15-4-2-3-5-16(15)20;1-12-2-3-16-14(21-12)11-23(18(25)26-16)13-4-8-22(9-5-13)10-15-17(24)20-7-6-19-15;18-13-3-1-2-4-16(13)24-11-12-9-21(8-5-15(12)22)10-14-17(23)20-7-6-19-14/h3-6,9-10,16H,2,7-8,11-15H2,1H3,(H,23,26);3-6,9-10,15H,2,7-8,11-14H2,1H3,(H,22,25);1-4,7-8,13H,5-6,9-12H2,(H,24,27);2*2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,22,25);2-3,6-7,13H,4-5,8-11H2,1H3,(H,20,24);1-4,6-7,12,15,22H,5,8-11H2,(H,20,23)/t;;;;;;12-,15-/m......1/s1
InChIKeyACEIMLVTOSCMEC-XAAWJKJRSA-N
XLogP15.08
TPSA527.86 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds39
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002495.85
LogP ≤ 515.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze 3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one with MolForge

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Related Compounds

2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 161476390
3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-methylsulfanylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 161670712
2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 162065781
N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;tert-butyl (2S)-2-[(1S,2S)-2-acetamido-3-(3-fluoro-5-hydroxyphenyl)-1-hydroxypropyl]-4-benzyl-3-oxopiperazine-1-carboxylate;tert-butyl (2S)-2-[(1S,2S)-2-acetamido-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropyl]-4-benzyl-3-oxopiperazine-1-carboxylate;pyridin-2-ylmethanol
CID 158642023
3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3S,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 159539430

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 157068727) is 3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is CC(C(=O)C1CCN(Cc2ncc[nH]c2=O)CC1)c1ccccc1F.CC(c1ncc[nH]c1=O)N1CCC(C(=O)Cc2ccccc2F)CC1.CCCOc1ccccc1CC(=O)C1CCN(Cc2ncc[nH]c2=O)CC1.CCOc1ccccc1CC(=O)C1CCN(Cc2ncc[nH]c2=O)CC1.Cc1ccc2c(n1)CN(C1CCN(Cc3ncc[nH]c3=O)CC1)C(=O)O2.O=C(Cc1ccccc1OC(F)(F)F)C1CCN(Cc2ncc[nH]c2=O)CC1.O=c1[nH]ccnc1CN1CC[C@@H](O)[C@@H](COc2ccccc2F)C1.
What is the InChIKey of 3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is ACEIMLVTOSCMEC-XAAWJKJRSA-N. The full InChI is InChI=1S/C21H27N3O3.C20H25N3O3.C19H20F3N3O3.2C19H22FN3O2.C18H21N5O3.C17H20FN3O3/c1-2-13-27-20-6-4-3-5-17(20)14-19(25)16-7-11-24(12-8-16)15-18-21(26)23-10-9-22-18;1-2-26-19-6-4-3-5-16(19)13-18(24)15-7-11-23(12-8-15)14-17-20(25)22-10-9-21-17;20-19(21,22)28-17-4-2-1-3-14(17)11-16(26)13-5-9-25(10-6-13)12-15-18(27)24-8-7-23-15;1-13(15-4-2-3-5-16(15)20)18(24)14-6-10-23(11-7-14)12-17-19(25)22-9-8-21-17;1-13(18-19(25)22-9-8-21-18)23-10-6-14(7-11-23)17(24)12-15-4-2-3-5-16(15)20;1-12-2-3-16-14(21-12)11-23(18(25)26-16)13-4-8-22(9-5-13)10-15-17(24)20-7-6-19-15;18-13-3-1-2-4-16(13)24-11-12-9-21(8-5-15(12)22)10-14-17(23)20-7-6-19-14/h3-6,9-10,16H,2,7-8,11-15H2,1H3,(H,23,26);3-6,9-10,15H,2,7-8,11-14H2,1H3,(H,22,25);1-4,7-8,13H,5-6,9-12H2,(H,24,27);2*2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,22,25);2-3,6-7,13H,4-5,8-11H2,1H3,(H,20,24);1-4,6-7,12,15,22H,5,8-11H2,(H,20,23)/t;;;;;;12-,15-/m......1/s1.
What are the key properties of 3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 2495.85 g/mol, XLogP of 15.08, 39 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 157068727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).