1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone

C133H175F6N19O13 — CID 158040948

IUPAC1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone
SMILESCC(C)(C)Oc1cncc(CN2CCC(C(=O)Cc3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CN2CCC(COc3ccccc3F)CC2)n1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccnc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(F)(C(=O)Cc2ccccc2F)CC1.COC1(OC)CN(Cc2nccnc2OC(C)(C)C)CCC1CCc1ccccc1F.C[C@@H]1CN(Cc2nccnc2OC(C)(C)C)CC[C@H]1C(=O)Cc1ccccc1F
InChIInChI=1S/C24H34FN3O3.C23H30FN3O2.C22H27F2N3O2.C22H28FN3O2.C21H28FN3O2.C21H28N4O2/c1-23(2,3)31-22-21(26-13-14-27-22)16-28-15-12-19(24(17-28,29-4)30-5)11-10-18-8-6-7-9-20(18)25;1-16-14-27(15-20-22(26-11-10-25-20)29-23(2,3)4)12-9-18(16)21(28)13-17-7-5-6-8-19(17)24;1-21(2,3)29-20-18(25-10-11-26-20)15-27-12-8-22(24,9-13-27)19(28)14-16-6-4-5-7-17(16)23;1-22(2,3)28-21-14-24-13-18(25-21)15-26-10-8-16(9-11-26)20(27)12-17-6-4-5-7-19(17)23;1-21(2,3)27-20-13-23-12-17(24-20)14-25-10-8-16(9-11-25)15-26-19-7-5-4-6-18(19)22;1-21(2,3)27-20-18(23-9-10-24-20)15-25-11-6-17(7-12-25)19(26)13-16-5-4-8-22-14-16/h6-9,13-14,19H,10-12,15-17H2,1-5H3;5-8,10-11,16,18H,9,12-15H2,1-4H3;4-7,10-11H,8-9,12-15H2,1-3H3;4-7,13-14,16H,8-12,15H2,1-3H3;4-7,12-13,16H,8-11,14-15H2,1-3H3;4-5,8-10,14,17H,6-7,11-13,15H2,1-3H3/t;16-,18-;;;;/m.1..../s1
InChIKeyFIIPLCZYQRTVSZ-HYVOUGQBSA-N
MW2361.97 g/mol
LogP23.18
Rot. Bonds38

About 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone

1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone (PubChem CID 158040948) has the molecular formula C133H175F6N19O13 and a molecular weight of 2361.97 g/mol. Its IUPAC name is 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone
PubChem CID158040948
Molecular FormulaC133H175F6N19O13
Molecular Weight2361.97 g/mol
Exact Mass2360.35
IUPAC Name1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone
SMILESCC(C)(C)Oc1cncc(CN2CCC(C(=O)Cc3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CN2CCC(COc3ccccc3F)CC2)n1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccnc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(F)(C(=O)Cc2ccccc2F)CC1.COC1(OC)CN(Cc2nccnc2OC(C)(C)C)CCC1CCc1ccccc1F.C[C@@H]1CN(Cc2nccnc2OC(C)(C)C)CC[C@H]1C(=O)Cc1ccccc1F
InChIInChI=1S/C24H34FN3O3.C23H30FN3O2.C22H27F2N3O2.C22H28FN3O2.C21H28FN3O2.C21H28N4O2/c1-23(2,3)31-22-21(26-13-14-27-22)16-28-15-12-19(24(17-28,29-4)30-5)11-10-18-8-6-7-9-20(18)25;1-16-14-27(15-20-22(26-11-10-25-20)29-23(2,3)4)12-9-18(16)21(28)13-17-7-5-6-8-19(17)24;1-21(2,3)29-20-18(25-10-11-26-20)15-27-12-8-22(24,9-13-27)19(28)14-16-6-4-5-7-17(16)23;1-22(2,3)28-21-14-24-13-18(25-21)15-26-10-8-16(9-11-26)20(27)12-17-6-4-5-7-19(17)23;1-21(2,3)27-20-13-23-12-17(24-20)14-25-10-8-16(9-11-25)15-26-19-7-5-4-6-18(19)22;1-21(2,3)27-20-18(23-9-10-24-20)15-25-11-6-17(7-12-25)19(26)13-16-5-4-8-22-14-16/h6-9,13-14,19H,10-12,15-17H2,1-5H3;5-8,10-11,16,18H,9,12-15H2,1-4H3;4-7,10-11H,8-9,12-15H2,1-3H3;4-7,13-14,16H,8-12,15H2,1-3H3;4-7,12-13,16H,8-11,14-15H2,1-3H3;4-5,8-10,14,17H,6-7,11-13,15H2,1-3H3/t;16-,18-;;;;/m.1..../s1
InChIKeyFIIPLCZYQRTVSZ-HYVOUGQBSA-N
XLogP23.18
TPSA338.36 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002361.97
LogP ≤ 523.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

2-(1,1-Difluoroethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoroethyl)-5-[[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoroethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(difluoromethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine
CID 158396159
2-(Difluoromethoxy)propane;3-fluoro-5-methoxy-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-[2-(4-propan-2-ylphenyl)ethyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-(6-propan-2-yl-2-pyridinyl)propan-2-ol;2-(trifluoromethoxy)propane
CID 158448264
1-[7-[(3,4-Difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one
CID 158827821
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-methylsulfanylphenyl)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 158860707
5-Fluoro-3-(4-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine;3-fluoro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine;3-(4-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine;2-methoxy-3-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrazine;3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenoxy]pyridine
CID 160025098
1-[4-Fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone
CID 160877737
2-[5-(1,1-Difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
CID 161141188
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
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
carbon dioxide;(4S)-1-(4-ethylphenyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one;(4S)-1-[4-(1-hydroxypropan-2-yl)phenyl]-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one;(4S)-1-[4-(2-hydroxypropan-2-yl)phenyl]-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one;(4S)-1-(4-prop-1-en-2-ylphenyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
CID 163438175
N-benzyl-4-(2-methylpropyl)pyridin-3-amine;N,N-diethyl-4-(2-methylpropyl)pyridin-3-amine;N,3-dimethyl-N-pyridin-4-ylbutanamide;3-methoxy-4-(2-methylpropyl)pyridine;4-(3-methylbutoxy)pyridine;4-(5-methylhexyl)pyridine;4-(2-methylpropyl)-3-(2-phenylethyl)pyridine;4-(2-methylpropyl)-3-phenylmethoxypyridine;4-(2-methylpropyl)-3-piperidin-1-ylpyridine;4-(2-methylpropyl)-3-(trifluoromethyl)pyridine;4-methyl-1-pyridin-4-ylpentan-2-one
CID 165052648
(2R)-4-[5-[4-[[(2R)-4-[5-[4-[[(2R)-1-[(3-methylpyrazin-2-yl)methyl]piperidine-2-carbonyl]amino]phenoxy]-2-pyridinyl]-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperidine-2-carbonyl]amino]phenoxy]-2-pyridinyl]-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 172371899

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone (CID 158040948) is 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone is CC(C)(C)Oc1cncc(CN2CCC(C(=O)Cc3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CN2CCC(COc3ccccc3F)CC2)n1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccnc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(F)(C(=O)Cc2ccccc2F)CC1.COC1(OC)CN(Cc2nccnc2OC(C)(C)C)CCC1CCc1ccccc1F.C[C@@H]1CN(Cc2nccnc2OC(C)(C)C)CC[C@H]1C(=O)Cc1ccccc1F.
What is the InChIKey of 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone?
The InChIKey is FIIPLCZYQRTVSZ-HYVOUGQBSA-N. The full InChI is InChI=1S/C24H34FN3O3.C23H30FN3O2.C22H27F2N3O2.C22H28FN3O2.C21H28FN3O2.C21H28N4O2/c1-23(2,3)31-22-21(26-13-14-27-22)16-28-15-12-19(24(17-28,29-4)30-5)11-10-18-8-6-7-9-20(18)25;1-16-14-27(15-20-22(26-11-10-25-20)29-23(2,3)4)12-9-18(16)21(28)13-17-7-5-6-8-19(17)24;1-21(2,3)29-20-18(25-10-11-26-20)15-27-12-8-22(24,9-13-27)19(28)14-16-6-4-5-7-17(16)23;1-22(2,3)28-21-14-24-13-18(25-21)15-26-10-8-16(9-11-26)20(27)12-17-6-4-5-7-19(17)23;1-21(2,3)27-20-13-23-12-17(24-20)14-25-10-8-16(9-11-25)15-26-19-7-5-4-6-18(19)22;1-21(2,3)27-20-18(23-9-10-24-20)15-25-11-6-17(7-12-25)19(26)13-16-5-4-8-22-14-16/h6-9,13-14,19H,10-12,15-17H2,1-5H3;5-8,10-11,16,18H,9,12-15H2,1-4H3;4-7,10-11H,8-9,12-15H2,1-3H3;4-7,13-14,16H,8-12,15H2,1-3H3;4-7,12-13,16H,8-11,14-15H2,1-3H3;4-5,8-10,14,17H,6-7,11-13,15H2,1-3H3/t;16-,18-;;;;/m.1..../s1.
What are the key properties of 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone?
1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone has a molecular weight of 2361.97 g/mol, XLogP of 23.18, 38 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(3S,4R)-3-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 158040948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).