2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone

C135H176F5N19O14 — CID 160961332

IUPAC2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone
SMILESCC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccc(F)cc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccc(F)c2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(O)(COc2ccccc2F)CC1.Cc1ccc(-c2ccccc2)n1CC1(O)CCN(Cc2nccnc2OC(C)(C)C)CC1.Cc1ccccc1OCC1(O)CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C26H34N4O2.2C22H27F2N3O2.C22H31N3O3.C22H29N3O2.C21H28FN3O3/c1-20-10-11-23(21-8-6-5-7-9-21)30(20)19-26(31)12-16-29(17-13-26)18-22-24(28-15-14-27-22)32-25(2,3)4;1-22(2,3)29-21-19(25-8-9-26-21)14-27-10-6-15(7-11-27)20(28)12-16-4-5-17(23)13-18(16)24;1-22(2,3)29-21-18(25-9-10-26-21)14-27-11-7-15(8-12-27)19(28)13-16-5-4-6-17(23)20(16)24;1-17-7-5-6-8-19(17)27-16-22(26)9-13-25(14-10-22)15-18-20(24-12-11-23-18)28-21(2,3)4;1-22(2,3)27-21-19(23-11-12-24-21)16-25-13-9-18(10-14-25)20(26)15-17-7-5-4-6-8-17;1-20(2,3)28-19-17(23-10-11-24-19)14-25-12-8-21(26,9-13-25)15-27-18-7-5-4-6-16(18)22/h5-11,14-15,31H,12-13,16-19H2,1-4H3;4-5,8-9,13,15H,6-7,10-12,14H2,1-3H3;4-6,9-10,15H,7-8,11-14H2,1-3H3;5-8,11-12,26H,9-10,13-16H2,1-4H3;4-8,11-12,18H,9-10,13-16H2,1-3H3;4-7,10-11,26H,8-9,12-15H2,1-3H3
InChIKeySXAWVVGTDWBECL-UHFFFAOYSA-N
MW2384.00 g/mol
LogP22.61
Rot. Bonds36

About 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone

2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone (PubChem CID 160961332) has the molecular formula C135H176F5N19O14 and a molecular weight of 2384.00 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone
PubChem CID160961332
Molecular FormulaC135H176F5N19O14
Molecular Weight2384.00 g/mol
Exact Mass2382.36
IUPAC Name2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone
SMILESCC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccc(F)cc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccc(F)c2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(O)(COc2ccccc2F)CC1.Cc1ccc(-c2ccccc2)n1CC1(O)CCN(Cc2nccnc2OC(C)(C)C)CC1.Cc1ccccc1OCC1(O)CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C26H34N4O2.2C22H27F2N3O2.C22H31N3O3.C22H29N3O2.C21H28FN3O3/c1-20-10-11-23(21-8-6-5-7-9-21)30(20)19-26(31)12-16-29(17-13-26)18-22-24(28-15-14-27-22)32-25(2,3)4;1-22(2,3)29-21-19(25-8-9-26-21)14-27-10-6-15(7-11-27)20(28)12-16-4-5-17(23)13-18(16)24;1-22(2,3)29-21-18(25-9-10-26-21)14-27-11-7-15(8-12-27)19(28)13-16-5-4-6-17(23)20(16)24;1-17-7-5-6-8-19(17)27-16-22(26)9-13-25(14-10-22)15-18-20(24-12-11-23-18)28-21(2,3)4;1-22(2,3)27-21-19(23-11-12-24-21)16-25-13-9-18(10-14-25)20(26)15-17-7-5-4-6-8-17;1-20(2,3)28-19-17(23-10-11-24-19)14-25-12-8-21(26,9-13-25)15-27-18-7-5-4-6-16(18)22/h5-11,14-15,31H,12-13,16-19H2,1-4H3;4-5,8-9,13,15H,6-7,10-12,14H2,1-3H3;4-6,9-10,15H,7-8,11-14H2,1-3H3;5-8,11-12,26H,9-10,13-16H2,1-4H3;4-8,11-12,18H,9-10,13-16H2,1-3H3;4-7,10-11,26H,8-9,12-15H2,1-3H3
InChIKeySXAWVVGTDWBECL-UHFFFAOYSA-N
XLogP22.61
TPSA364.79 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds36
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002384.00
LogP ≤ 522.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(4-fluoropiperidin-1-yl)-2-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-ylpyridine;5-(1-methylpiperidin-4-yl)-2-propan-2-ylpyridine;1-methyl-4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazine;1-methyl-4-(6-propan-2-yl-3-pyridinyl)piperazine;5-piperidin-1-yl-2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethane-1,2-diol;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine;3-[(6-propan-2-yl-3-pyridinyl)oxy]propane-1,2-diol;(3S,4S)-1-(6-propan-2-yl-3-pyridinyl)piperidine-3,4-diol;1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;2-propan-2-yl-5-pyrrolidin-1-ylpyridine
CID 158278873
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
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-[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
2-[[3-[(2-Fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[2-(2-methoxyphenoxy)ethyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone
CID 157225656
1-[5-(4-Ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(3-piperidin-1-ylpropoxy)phenyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]butan-2-one
CID 157519196
4-[3-Fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]butan-2-one;4-[3-fluoro-5-(2-methylpropoxy)phenyl]-1-[5-[4-(piperidin-1-ylmethyl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]butan-2-one;4-(3-fluorophenyl)-1-[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]butan-2-one
CID 157606780
(3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone
CID 157707607
2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methyl]benzamide;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol
CID 157884735

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone (CID 160961332) is 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone is CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccc(F)cc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccc(F)c2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(O)(COc2ccccc2F)CC1.Cc1ccc(-c2ccccc2)n1CC1(O)CCN(Cc2nccnc2OC(C)(C)C)CC1.Cc1ccccc1OCC1(O)CCN(Cc2nccnc2OC(C)(C)C)CC1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone?
The InChIKey is SXAWVVGTDWBECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2.2C22H27F2N3O2.C22H31N3O3.C22H29N3O2.C21H28FN3O3/c1-20-10-11-23(21-8-6-5-7-9-21)30(20)19-26(31)12-16-29(17-13-26)18-22-24(28-15-14-27-22)32-25(2,3)4;1-22(2,3)29-21-19(25-8-9-26-21)14-27-10-6-15(7-11-27)20(28)12-16-4-5-17(23)13-18(16)24;1-22(2,3)29-21-18(25-9-10-26-21)14-27-11-7-15(8-12-27)19(28)13-16-5-4-6-17(23)20(16)24;1-17-7-5-6-8-19(17)27-16-22(26)9-13-25(14-10-22)15-18-20(24-12-11-23-18)28-21(2,3)4;1-22(2,3)27-21-19(23-11-12-24-21)16-25-13-9-18(10-14-25)20(26)15-17-7-5-4-6-8-17;1-20(2,3)28-19-17(23-10-11-24-19)14-25-12-8-21(26,9-13-25)15-27-18-7-5-4-6-16(18)22/h5-11,14-15,31H,12-13,16-19H2,1-4H3;4-5,8-9,13,15H,6-7,10-12,14H2,1-3H3;4-6,9-10,15H,7-8,11-14H2,1-3H3;5-8,11-12,26H,9-10,13-16H2,1-4H3;4-8,11-12,18H,9-10,13-16H2,1-3H3;4-7,10-11,26H,8-9,12-15H2,1-3H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone?
2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone has a molecular weight of 2384.00 g/mol, XLogP of 22.61, 36 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2,4-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;4-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methylphenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-phenylethanone is sourced from PubChem (CID 160961332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).