[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone

C105H107FN14O15 — CID 162258490

IUPAC[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(c3ccc4c(c3)OCO4)C(O)C2)ccn1.Cn1ccn2ncc(C(=O)N3CCC(c4ccc5ccccc5c4)C(O)C3)c12.Cn1cncc1C(=O)N1CCC(c2ccc3ccccc3c2)C(O)C1.O=C(c1cccc(N2CCNC2=O)c1)N1CCC(c2ccc(F)cc2)C(O)C1.O=C(c1ccnc2ccccc12)N1CCC(c2ccc3c(c2)OCO3)C(O)C1
InChIInChI=1S/C22H22N4O2.C22H20N2O4.C21H22FN3O3.C20H21N3O2.C20H22N2O4/c1-24-10-11-26-21(24)19(13-23-26)22(28)25-9-8-18(20(27)14-25)17-7-6-15-4-2-3-5-16(15)12-17;25-19-12-24(22(26)17-7-9-23-18-4-2-1-3-16(17)18)10-8-15(19)14-5-6-20-21(11-14)28-13-27-20;22-16-6-4-14(5-7-16)18-8-10-24(13-19(18)26)20(27)15-2-1-3-17(12-15)25-11-9-23-21(25)28;1-22-13-21-11-18(22)20(25)23-9-8-17(19(24)12-23)16-7-6-14-4-2-3-5-15(14)10-16;1-2-15-9-14(5-7-21-15)20(24)22-8-6-16(17(23)11-22)13-3-4-18-19(10-13)26-12-25-18/h2-7,10-13,18,20,27H,8-9,14H2,1H3;1-7,9,11,15,19,25H,8,10,12-13H2;1-7,12,18-19,26H,8-11,13H2,(H,23,28);2-7,10-11,13,17,19,24H,8-9,12H2,1H3;3-5,7,9-10,16-17,23H,2,6,8,11-12H2,1H3
InChIKeyZYXKSGSZNMFTMU-UHFFFAOYSA-N
MW1824.09 g/mol
LogP13.04
Rot. Bonds12

About [4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone

[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone (PubChem CID 162258490) has the molecular formula C105H107FN14O15 and a molecular weight of 1824.09 g/mol. Its IUPAC name is [4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
PubChem CID162258490
Molecular FormulaC105H107FN14O15
Molecular Weight1824.09 g/mol
Exact Mass1822.80
IUPAC Name[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(c3ccc4c(c3)OCO4)C(O)C2)ccn1.Cn1ccn2ncc(C(=O)N3CCC(c4ccc5ccccc5c4)C(O)C3)c12.Cn1cncc1C(=O)N1CCC(c2ccc3ccccc3c2)C(O)C1.O=C(c1cccc(N2CCNC2=O)c1)N1CCC(c2ccc(F)cc2)C(O)C1.O=C(c1ccnc2ccccc12)N1CCC(c2ccc3c(c2)OCO3)C(O)C1
InChIInChI=1S/C22H22N4O2.C22H20N2O4.C21H22FN3O3.C20H21N3O2.C20H22N2O4/c1-24-10-11-26-21(24)19(13-23-26)22(28)25-9-8-18(20(27)14-25)17-7-6-15-4-2-3-5-16(15)12-17;25-19-12-24(22(26)17-7-9-23-18-4-2-1-3-16(17)18)10-8-15(19)14-5-6-20-21(11-14)28-13-27-20;22-16-6-4-14(5-7-16)18-8-10-24(13-19(18)26)20(27)15-2-1-3-17(12-15)25-11-9-23-21(25)28;1-22-13-21-11-18(22)20(25)23-9-8-17(19(24)12-23)16-7-6-14-4-2-3-5-15(14)10-16;1-2-15-9-14(5-7-21-15)20(24)22-8-6-16(17(23)11-22)13-3-4-18-19(10-13)26-12-25-18/h2-7,10-13,18,20,27H,8-9,14H2,1H3;1-7,9,11,15,19,25H,8,10,12-13H2;1-7,12,18-19,26H,8-11,13H2,(H,23,28);2-7,10-11,13,17,19,24H,8-9,12H2,1H3;3-5,7,9-10,16-17,23H,2,6,8,11-12H2,1H3
InChIKeyZYXKSGSZNMFTMU-UHFFFAOYSA-N
XLogP13.04
TPSA337.79 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001824.09
LogP ≤ 513.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze [4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone with MolForge

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Related Compounds

3H-benzimidazol-5-yl-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(1H-indol-5-yl)methanone;[2-[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-2-oxoethyl]urea;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;N-[4-[4-[5-benzyl-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 157235028
4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 161460794
1,3-dimethyl-5-propan-2-yl-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-7-(4-propan-2-yl-2-pyridinyl)isoquinolin-1-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;7-(4-propan-2-yl-2-pyridinyl)-2H-isoquinolin-1-one;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 162002068
N-benzyl-1-(2-hydroxyethyl)-5-[(6-methyl-4-oxo-4a,8a-dihydrochromen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;N-benzyl-1-(2-hydroxyethyl)-5-[(2-methyl-7H-pyrrolo[1,2-a]imidazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide;1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-(quinolin-8-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 157054604
4-[4-[3-(2-butylhexanoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]anilino]-3-cyclohexyl-4-oxobutanoic acid;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-7H-pyrrolo[1,2-a]imidazole-2-carboxamide;N,N-dibutyl-1-[4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 157220951
1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-7-(4-propan-2-yl-2-pyridinyl)isoquinolin-1-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;7-(4-propan-2-yl-2-pyridinyl)-2H-isoquinolin-1-one;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one
CID 157342185
6-[2-[3-(1,3-benzodioxol-5-yl)propyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-cyclohexylpropyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-[2-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]ethyl]-2,3-dihydro-1H-inden-2-ol;2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3H-isoindol-1-one;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-naphthalen-1-ylethanamine;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-naphthalen-1-ylmethanamine
CID 157441348
CID 157461780
CID 157461780
benzene;1-benzyl-3-methylindole;5-butoxy-3-methyl-1H-indole;1-butoxy-4-propylbenzene;1-butyl-3-methylindole;ethylbenzene;1-ethyl-4-(2-methoxyethoxy)benzene;1-ethyl-4-methylbenzene;1-ethyl-4-methylindole;4-ethylphenol;1-ethyl-2-phenoxybenzene;5-ethyl-1,2,3-trimethoxybenzene;5-(2-methoxyethoxy)-3-methyl-1H-indole;1-(2-methoxyethyl)-4-methylpiperidine;9-methylacridine;1-methylanthracene;9-methylanthracene;1-methyl-3,5-diphenylbenzene;4-methyl-2,6-diphenylpyridine;8-methylimidazo[1,2-a]pyridine;3-methyl-2H-indazole;3-methyl-1H-indole;4-methyl-1H-indole;8-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyridine;9-methylphenanthrene;3-methylquinoline;3-methyl-1H-quinolin-4-one;1-phenylethanone;N-(1-phenylethyl)acetamide;N-(1-phenylpropan-2-yl)acetamide;1-phenylprop-1-enylbenzene;9-propylanthracene;1-propylnaphthalene;2-propylnaphthalene
CID 157562516
[4-(1,3-Benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-fluorophenyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(4-fluorophenyl)-(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 157578259
6-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(1-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(5-methyl-3-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(6-methyl-3-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157761334
ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
CID 157779902

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone (CID 162258490) is [4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone is CCc1cc(C(=O)N2CCC(c3ccc4c(c3)OCO4)C(O)C2)ccn1.Cn1ccn2ncc(C(=O)N3CCC(c4ccc5ccccc5c4)C(O)C3)c12.Cn1cncc1C(=O)N1CCC(c2ccc3ccccc3c2)C(O)C1.O=C(c1cccc(N2CCNC2=O)c1)N1CCC(c2ccc(F)cc2)C(O)C1.O=C(c1ccnc2ccccc12)N1CCC(c2ccc3c(c2)OCO3)C(O)C1.
What is the InChIKey of [4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is ZYXKSGSZNMFTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2.C22H20N2O4.C21H22FN3O3.C20H21N3O2.C20H22N2O4/c1-24-10-11-26-21(24)19(13-23-26)22(28)25-9-8-18(20(27)14-25)17-7-6-15-4-2-3-5-16(15)12-17;25-19-12-24(22(26)17-7-9-23-18-4-2-1-3-16(17)18)10-8-15(19)14-5-6-20-21(11-14)28-13-27-20;22-16-6-4-14(5-7-16)18-8-10-24(13-19(18)26)20(27)15-2-1-3-17(12-15)25-11-9-23-21(25)28;1-22-13-21-11-18(22)20(25)23-9-8-17(19(24)12-23)16-7-6-14-4-2-3-5-15(14)10-16;1-2-15-9-14(5-7-21-15)20(24)22-8-6-16(17(23)11-22)13-3-4-18-19(10-13)26-12-25-18/h2-7,10-13,18,20,27H,8-9,14H2,1H3;1-7,9,11,15,19,25H,8,10,12-13H2;1-7,12,18-19,26H,8-11,13H2,(H,23,28);2-7,10-11,13,17,19,24H,8-9,12H2,1H3;3-5,7,9-10,16-17,23H,2,6,8,11-12H2,1H3.
What are the key properties of [4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 1824.09 g/mol, XLogP of 13.04, 12 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-(2-ethyl-4-pyridinyl)methanone;[4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-quinolin-4-ylmethanone;1-[3-[4-(4-fluorophenyl)-3-hydroxypiperidine-1-carbonyl]phenyl]imidazolidin-2-one;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone;(3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 162258490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).