5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one

C136H160ClF5N18O18 — CID 159188998

IUPAC5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESCc1ccc(-c2ccccc2)n1CC1(O)CCN(Cc2ccc[nH]c2=O)CC1.Cc1ccccc1OCC1(O)CCN(Cc2ccc[nH]c2=O)CC1.Cn1c(CCN2CCC(COc3ccccc3F)CC2)cncc1=O.O=C(CC1CCN(CCc2cncc(=O)[nH]2)CC1)c1ccccc1F.O=C1OC2(CCN(Cc3ccc[nH]c3=O)CC2)CN1Cc1ccccc1F.O=c1[nH]cc(Cl)cc1CN1CCC(O)(COc2ccccc2F)CC1.O=c1[nH]cccc1CN1CCC(O)(COc2ccccc2F)CC1
InChIInChI=1S/C23H27N3O2.C20H22FN3O3.C19H24FN3O2.C19H22FN3O2.C19H24N2O3.C18H20ClFN2O3.C18H21FN2O3/c1-18-9-10-21(19-6-3-2-4-7-19)26(18)17-23(28)11-14-25(15-12-23)16-20-8-5-13-24-22(20)27;21-17-6-2-1-4-15(17)13-24-14-20(27-19(24)26)7-10-23(11-8-20)12-16-5-3-9-22-18(16)25;1-22-16(12-21-13-19(22)24)8-11-23-9-6-15(7-10-23)14-25-18-5-3-2-4-17(18)20;20-17-4-2-1-3-16(17)18(24)11-14-5-8-23(9-6-14)10-7-15-12-21-13-19(25)22-15;1-15-5-2-3-7-17(15)24-14-19(23)8-11-21(12-9-19)13-16-6-4-10-20-18(16)22;19-14-9-13(17(23)21-10-14)11-22-7-5-18(24,6-8-22)12-25-16-4-2-1-3-15(16)20;19-15-5-1-2-6-16(15)24-13-18(23)7-10-21(11-8-18)12-14-4-3-9-20-17(14)22/h2-10,13,28H,11-12,14-17H2,1H3,(H,24,27);1-6,9H,7-8,10-14H2,(H,22,25);2-5,12-13,15H,6-11,14H2,1H3;1-4,12-14H,5-11H2,(H,22,25);2-7,10,23H,8-9,11-14H2,1H3,(H,20,22);1-4,9-10,24H,5-8,11-12H2,(H,21,23);1-6,9,23H,7-8,10-13H2,(H,20,22)
InChIKeyKNVQABOGTNIEHQ-UHFFFAOYSA-N
MW2465.33 g/mol
LogP16.95
Rot. Bonds36

About 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one

5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 159188998) has the molecular formula C136H160ClF5N18O18 and a molecular weight of 2465.33 g/mol. Its IUPAC name is 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID159188998
Molecular FormulaC136H160ClF5N18O18
Molecular Weight2465.33 g/mol
Exact Mass2463.18
IUPAC Name5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESCc1ccc(-c2ccccc2)n1CC1(O)CCN(Cc2ccc[nH]c2=O)CC1.Cc1ccccc1OCC1(O)CCN(Cc2ccc[nH]c2=O)CC1.Cn1c(CCN2CCC(COc3ccccc3F)CC2)cncc1=O.O=C(CC1CCN(CCc2cncc(=O)[nH]2)CC1)c1ccccc1F.O=C1OC2(CCN(Cc3ccc[nH]c3=O)CC2)CN1Cc1ccccc1F.O=c1[nH]cc(Cl)cc1CN1CCC(O)(COc2ccccc2F)CC1.O=c1[nH]cccc1CN1CCC(O)(COc2ccccc2F)CC1
InChIInChI=1S/C23H27N3O2.C20H22FN3O3.C19H24FN3O2.C19H22FN3O2.C19H24N2O3.C18H20ClFN2O3.C18H21FN2O3/c1-18-9-10-21(19-6-3-2-4-7-19)26(18)17-23(28)11-14-25(15-12-23)16-20-8-5-13-24-22(20)27;21-17-6-2-1-4-15(17)13-24-14-20(27-19(24)26)7-10-23(11-8-20)12-16-5-3-9-22-18(16)25;1-22-16(12-21-13-19(22)24)8-11-23-9-6-15(7-10-23)14-25-18-5-3-2-4-17(18)20;20-17-4-2-1-3-16(17)18(24)11-14-5-8-23(9-6-14)10-7-15-12-21-13-19(25)22-15;1-15-5-2-3-7-17(15)24-14-19(23)8-11-21(12-9-19)13-16-6-4-10-20-18(16)22;19-14-9-13(17(23)21-10-14)11-22-7-5-18(24,6-8-22)12-25-16-4-2-1-3-15(16)20;19-15-5-1-2-6-16(15)24-13-18(23)7-10-21(11-8-18)12-14-4-3-9-20-17(14)22/h2-10,13,28H,11-12,14-17H2,1H3,(H,24,27);1-6,9H,7-8,10-14H2,(H,22,25);2-5,12-13,15H,6-11,14H2,1H3;1-4,12-14H,5-11H2,(H,22,25);2-7,10,23H,8-9,11-14H2,1H3,(H,20,22);1-4,9-10,24H,5-8,11-12H2,(H,21,23);1-6,9,23H,7-8,10-13H2,(H,20,22)
InChIKeyKNVQABOGTNIEHQ-UHFFFAOYSA-N
XLogP16.95
TPSA437.00 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds36
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002465.33
LogP ≤ 516.95
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one 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

N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-methoxyethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-morpholin-4-ylethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carboxamide
CID 157376887
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
3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 158544723
ethyl 1-[(2-oxo-1H-pyrazin-3-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate;2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 158571896
2-fluoro-N-(2-fluorobenzoyl)-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;2-fluoro-N-[[4-hydroxy-1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methyl]benzamide;3-[[2-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 160394947
3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1H-pyrimidin-2-one;3-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(E)-2-(3-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 160969172
3-[[2-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[3-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-methylphenyl)acetyl]piperidin-1-yl]methyl]-1H-quinoxalin-2-one
CID 161457151
5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-4-methyl-2,3-dihydropyrazin-5-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 161722589

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one (CID 159188998) is 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one is Cc1ccc(-c2ccccc2)n1CC1(O)CCN(Cc2ccc[nH]c2=O)CC1.Cc1ccccc1OCC1(O)CCN(Cc2ccc[nH]c2=O)CC1.Cn1c(CCN2CCC(COc3ccccc3F)CC2)cncc1=O.O=C(CC1CCN(CCc2cncc(=O)[nH]2)CC1)c1ccccc1F.O=C1OC2(CCN(Cc3ccc[nH]c3=O)CC2)CN1Cc1ccccc1F.O=c1[nH]cc(Cl)cc1CN1CCC(O)(COc2ccccc2F)CC1.O=c1[nH]cccc1CN1CCC(O)(COc2ccccc2F)CC1.
What is the InChIKey of 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is KNVQABOGTNIEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2.C20H22FN3O3.C19H24FN3O2.C19H22FN3O2.C19H24N2O3.C18H20ClFN2O3.C18H21FN2O3/c1-18-9-10-21(19-6-3-2-4-7-19)26(18)17-23(28)11-14-25(15-12-23)16-20-8-5-13-24-22(20)27;21-17-6-2-1-4-15(17)13-24-14-20(27-19(24)26)7-10-23(11-8-20)12-16-5-3-9-22-18(16)25;1-22-16(12-21-13-19(22)24)8-11-23-9-6-15(7-10-23)14-25-18-5-3-2-4-17(18)20;20-17-4-2-1-3-16(17)18(24)11-14-5-8-23(9-6-14)10-7-15-12-21-13-19(25)22-15;1-15-5-2-3-7-17(15)24-14-19(23)8-11-21(12-9-19)13-16-6-4-10-20-18(16)22;19-14-9-13(17(23)21-10-14)11-22-7-5-18(24,6-8-22)12-25-16-4-2-1-3-15(16)20;19-15-5-1-2-6-16(15)24-13-18(23)7-10-21(11-8-18)12-14-4-3-9-20-17(14)22/h2-10,13,28H,11-12,14-17H2,1H3,(H,24,27);1-6,9H,7-8,10-14H2,(H,22,25);2-5,12-13,15H,6-11,14H2,1H3;1-4,12-14H,5-11H2,(H,22,25);2-7,10,23H,8-9,11-14H2,1H3,(H,20,22);1-4,9-10,24H,5-8,11-12H2,(H,21,23);1-6,9,23H,7-8,10-13H2,(H,20,22).
What are the key properties of 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one?
5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 2465.33 g/mol, XLogP of 16.95, 36 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyridin-2-one;6-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-1-methylpyrazin-2-one;3-[(2-fluorophenyl)methyl]-8-[(2-oxo-1H-pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;6-[2-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-hydroxy-4-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one;3-[[4-hydroxy-4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 159188998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).