4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole

C149H188ClN31O6 — CID 158703203

IUPAC4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCCc1nc(Cc2ccccc2)cn1C1CCNCC1.CCn1cc(Cc2ccccc2)nc1C1CCNCC1.CCn1nc(-c2ccccc2)cc1C1CCNCC1.CCn1nc(C2CCNCC2)nc1Cc1ccccc1.COc1ccc(Cc2noc(C3CCNCC3)n2)cc1.Clc1ccc(-c2cc(C3CCNCC3)[nH]n2)cc1.c1ccc(-c2cnc(C3CCNCC3)o2)cc1.c1ccc(-c2nnc(C3CCNCC3)o2)cc1.c1ccc(Cc2nnc(C3CCNCC3)o2)cc1.c1cncc(Cc2noc(C3CCNCC3)n2)c1
InChIInChI=1S/2C17H23N3.C16H22N4.C16H21N3.C15H19N3O2.C14H16ClN3.C14H17N3O.C14H16N2O.C13H16N4O.C13H15N3O/c1-2-17-19-15(12-14-6-4-3-5-7-14)13-20(17)16-8-10-18-11-9-16;1-2-20-13-16(12-14-6-4-3-5-7-14)19-17(20)15-8-10-18-11-9-15;1-2-20-15(12-13-6-4-3-5-7-13)18-16(19-20)14-8-10-17-11-9-14;1-2-19-16(14-8-10-17-11-9-14)12-15(18-19)13-6-4-3-5-7-13;1-19-13-4-2-11(3-5-13)10-14-17-15(20-18-14)12-6-8-16-9-7-12;15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11;1-2-4-11(5-3-1)10-13-16-17-14(18-13)12-6-8-15-9-7-12;1-2-4-11(5-3-1)13-10-16-14(17-13)12-6-8-15-9-7-12;1-2-10(9-15-5-1)8-12-16-13(18-17-12)11-3-6-14-7-4-11;1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11/h3-7,13,16,18H,2,8-12H2,1H3;3-7,13,15,18H,2,8-12H2,1H3;3-7,14,17H,2,8-12H2,1H3;3-7,12,14,17H,2,8-11H2,1H3;2-5,12,16H,6-10H2,1H3;1-4,9,11,16H,5-8H2,(H,17,18);1-5,12,15H,6-10H2;1-5,10,12,15H,6-9H2;1-2,5,9,11,14H,3-4,6-8H2;1-5,11,14H,6-9H2
InChIKeyIHUNKWHVZRGLBH-UHFFFAOYSA-N
MW2544.81 g/mol
LogP25.31
Rot. Bonds31

About 4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole

4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 158703203) has the molecular formula C149H188ClN31O6 and a molecular weight of 2544.81 g/mol. Its IUPAC name is 4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID158703203
Molecular FormulaC149H188ClN31O6
Molecular Weight2544.81 g/mol
Exact Mass2542.50
IUPAC Name4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCCc1nc(Cc2ccccc2)cn1C1CCNCC1.CCn1cc(Cc2ccccc2)nc1C1CCNCC1.CCn1nc(-c2ccccc2)cc1C1CCNCC1.CCn1nc(C2CCNCC2)nc1Cc1ccccc1.COc1ccc(Cc2noc(C3CCNCC3)n2)cc1.Clc1ccc(-c2cc(C3CCNCC3)[nH]n2)cc1.c1ccc(-c2cnc(C3CCNCC3)o2)cc1.c1ccc(-c2nnc(C3CCNCC3)o2)cc1.c1ccc(Cc2nnc(C3CCNCC3)o2)cc1.c1cncc(Cc2noc(C3CCNCC3)n2)c1
InChIInChI=1S/2C17H23N3.C16H22N4.C16H21N3.C15H19N3O2.C14H16ClN3.C14H17N3O.C14H16N2O.C13H16N4O.C13H15N3O/c1-2-17-19-15(12-14-6-4-3-5-7-14)13-20(17)16-8-10-18-11-9-16;1-2-20-13-16(12-14-6-4-3-5-7-14)19-17(20)15-8-10-18-11-9-15;1-2-20-15(12-13-6-4-3-5-7-13)18-16(19-20)14-8-10-17-11-9-14;1-2-19-16(14-8-10-17-11-9-14)12-15(18-19)13-6-4-3-5-7-13;1-19-13-4-2-11(3-5-13)10-14-17-15(20-18-14)12-6-8-16-9-7-12;15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11;1-2-4-11(5-3-1)10-13-16-17-14(18-13)12-6-8-15-9-7-12;1-2-4-11(5-3-1)13-10-16-14(17-13)12-6-8-15-9-7-12;1-2-10(9-15-5-1)8-12-16-13(18-17-12)11-3-6-14-7-4-11;1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11/h3-7,13,16,18H,2,8-12H2,1H3;3-7,13,15,18H,2,8-12H2,1H3;3-7,14,17H,2,8-12H2,1H3;3-7,12,14,17H,2,8-11H2,1H3;2-5,12,16H,6-10H2,1H3;1-4,9,11,16H,5-8H2,(H,17,18);1-5,12,15H,6-10H2;1-5,10,12,15H,6-9H2;1-2,5,9,11,14H,3-4,6-8H2;1-5,11,14H,6-9H2
InChIKeyIHUNKWHVZRGLBH-UHFFFAOYSA-N
XLogP25.31
TPSA436.98 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds31
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002544.81
LogP ≤ 525.31
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 157956965
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide;6-[4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyridazin-3-amine;6-[4-[5-[3-(trifluoromethyl)anilino]furan-2-yl]phenoxy]pyrimidine-2,4-diamine
CID 158134409
2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]-6-methyl-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-(2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 159549616
CID 159897275
CID 159897275
3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 164985706
2-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-1,3-oxazole-5-carboxamide;1-[4-[4-acetyl-5-(2-chlorophenyl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one;2-(2-chlorophenyl)-N-(2-methoxyethyl)-5-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[5-[3-(dimethylamino)piperidin-1-yl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]propan-2-one
CID 157156784
4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(3-benzyl-1-ethylpyrazol-5-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 157245249
5-chloro-3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;N-cyclopropyl-3-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;3-(3-fluorophenyl)-1,4-dihydropyrazolo[4,3-b]pyridin-5-one;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-5-yl] acetate;[3-(3-fluorophenyl)-1-methylpyrazolo[4,3-b]pyridin-6-yl] acetate;[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-6-yl] acetate;1-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]ethanone
CID 157293817
[3-(5-amino-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(5-methoxy-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-[4-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(5-methyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;[3-(5-phenyl-2-pyridinyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridazin-3-ylpyrrolidin-1-yl)methanone
CID 157407222
N-[(4-ethoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(5-ethoxy-2-pyridinyl)methyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[(4-methoxyphenyl)methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]-3-(3-methylphenyl)propan-1-one;bis(5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide);5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(5-propan-2-yloxy-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 157958101
cumene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione;3-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-1H-1,2,4-triazole
CID 157979101
CID 158024979
CID 158024979

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole (CID 158703203) is 4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole is CCc1nc(Cc2ccccc2)cn1C1CCNCC1.CCn1cc(Cc2ccccc2)nc1C1CCNCC1.CCn1nc(-c2ccccc2)cc1C1CCNCC1.CCn1nc(C2CCNCC2)nc1Cc1ccccc1.COc1ccc(Cc2noc(C3CCNCC3)n2)cc1.Clc1ccc(-c2cc(C3CCNCC3)[nH]n2)cc1.c1ccc(-c2cnc(C3CCNCC3)o2)cc1.c1ccc(-c2nnc(C3CCNCC3)o2)cc1.c1ccc(Cc2nnc(C3CCNCC3)o2)cc1.c1cncc(Cc2noc(C3CCNCC3)n2)c1.
What is the InChIKey of 4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is IHUNKWHVZRGLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H23N3.C16H22N4.C16H21N3.C15H19N3O2.C14H16ClN3.C14H17N3O.C14H16N2O.C13H16N4O.C13H15N3O/c1-2-17-19-15(12-14-6-4-3-5-7-14)13-20(17)16-8-10-18-11-9-16;1-2-20-13-16(12-14-6-4-3-5-7-14)19-17(20)15-8-10-18-11-9-15;1-2-20-15(12-13-6-4-3-5-7-13)18-16(19-20)14-8-10-17-11-9-14;1-2-19-16(14-8-10-17-11-9-14)12-15(18-19)13-6-4-3-5-7-13;1-19-13-4-2-11(3-5-13)10-14-17-15(20-18-14)12-6-8-16-9-7-12;15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11;1-2-4-11(5-3-1)10-13-16-17-14(18-13)12-6-8-15-9-7-12;1-2-4-11(5-3-1)13-10-16-14(17-13)12-6-8-15-9-7-12;1-2-10(9-15-5-1)8-12-16-13(18-17-12)11-3-6-14-7-4-11;1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11/h3-7,13,16,18H,2,8-12H2,1H3;3-7,13,15,18H,2,8-12H2,1H3;3-7,14,17H,2,8-12H2,1H3;3-7,12,14,17H,2,8-11H2,1H3;2-5,12,16H,6-10H2,1H3;1-4,9,11,16H,5-8H2,(H,17,18);1-5,12,15H,6-10H2;1-5,10,12,15H,6-9H2;1-2,5,9,11,14H,3-4,6-8H2;1-5,11,14H,6-9H2.
What are the key properties of 4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole?
4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 2544.81 g/mol, XLogP of 25.31, 31 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-1-ethylimidazol-2-yl)piperidine;4-(4-benzyl-2-ethylimidazol-1-yl)piperidine;4-(5-benzyl-1-ethyl-1,2,4-triazol-3-yl)piperidine;2-benzyl-5-piperidin-4-yl-1,3,4-oxadiazole;4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine;4-(1-ethyl-3-phenylpyrazol-5-yl)piperidine;3-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole;2-phenyl-5-piperidin-4-yl-1,3,4-oxadiazole;5-phenyl-2-piperidin-4-yl-1,3-oxazole;5-piperidin-4-yl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 158703203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).