1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one

C106H129Cl5F6N10O6 — CID 164963597

IUPAC1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one
SMILESCC(C)CCn1ccc(N2CCC(F)(c3ccccc3)CC2)c(Cl)c1=O.CC(C)CCn1ccc(N2CCC(c3ccc(F)cc3F)CC2)c(Cl)c1=O.CCCCn1ccc(N2CCC(c3ccc(C(C)(C)O)cc3)CC2)c(Cl)c1=O.CCCCn1ccc(N2CCC(c3ccc(F)cc3F)CC2)c(Cl)c1=O.O=c1c(Cl)c(N2CCC(F)(c3ccccc3)CC2)ccn1CCC1CC1
InChIInChI=1S/C23H31ClN2O2.C21H25ClF2N2O.C21H24ClFN2O.C21H26ClFN2O.C20H23ClF2N2O/c1-4-5-13-26-16-12-20(21(24)22(26)27)25-14-10-18(11-15-25)17-6-8-19(9-7-17)23(2,3)28;1-14(2)5-9-26-12-8-19(20(22)21(26)27)25-10-6-15(7-11-25)17-4-3-16(23)13-18(17)24;22-19-18(9-13-25(20(19)26)12-8-16-6-7-16)24-14-10-21(23,11-15-24)17-4-2-1-3-5-17;1-16(2)8-12-25-13-9-18(19(22)20(25)26)24-14-10-21(23,11-15-24)17-6-4-3-5-7-17;1-2-3-9-25-12-8-18(19(21)20(25)26)24-10-6-14(7-11-24)16-5-4-15(22)13-17(16)23/h6-9,12,16,18,28H,4-5,10-11,13-15H2,1-3H3;3-4,8,12-15H,5-7,9-11H2,1-2H3;1-5,9,13,16H,6-8,10-12,14-15H2;3-7,9,13,16H,8,10-12,14-15H2,1-2H3;4-5,8,12-14H,2-3,6-7,9-11H2,1H3
InChIKeyCDYOEAGMGDAFIX-UHFFFAOYSA-N
MW1930.51 g/mol
LogP24.87
Rot. Bonds26

About 1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one

1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one (PubChem CID 164963597) has the molecular formula C106H129Cl5F6N10O6 and a molecular weight of 1930.51 g/mol. Its IUPAC name is 1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one.

Molecular Properties

Compound Name1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one
PubChem CID164963597
Molecular FormulaC106H129Cl5F6N10O6
Molecular Weight1930.51 g/mol
Exact Mass1926.84
IUPAC Name1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one
SMILESCC(C)CCn1ccc(N2CCC(F)(c3ccccc3)CC2)c(Cl)c1=O.CC(C)CCn1ccc(N2CCC(c3ccc(F)cc3F)CC2)c(Cl)c1=O.CCCCn1ccc(N2CCC(c3ccc(C(C)(C)O)cc3)CC2)c(Cl)c1=O.CCCCn1ccc(N2CCC(c3ccc(F)cc3F)CC2)c(Cl)c1=O.O=c1c(Cl)c(N2CCC(F)(c3ccccc3)CC2)ccn1CCC1CC1
InChIInChI=1S/C23H31ClN2O2.C21H25ClF2N2O.C21H24ClFN2O.C21H26ClFN2O.C20H23ClF2N2O/c1-4-5-13-26-16-12-20(21(24)22(26)27)25-14-10-18(11-15-25)17-6-8-19(9-7-17)23(2,3)28;1-14(2)5-9-26-12-8-19(20(22)21(26)27)25-10-6-15(7-11-25)17-4-3-16(23)13-18(17)24;22-19-18(9-13-25(20(19)26)12-8-16-6-7-16)24-14-10-21(23,11-15-24)17-4-2-1-3-5-17;1-16(2)8-12-25-13-9-18(19(22)20(25)26)24-14-10-21(23,11-15-24)17-6-4-3-5-7-17;1-2-3-9-25-12-8-18(19(21)20(25)26)24-10-6-14(7-11-24)16-5-4-15(22)13-17(16)23/h6-9,12,16,18,28H,4-5,10-11,13-15H2,1-3H3;3-4,8,12-15H,5-7,9-11H2,1-2H3;1-5,9,13,16H,6-8,10-12,14-15H2;3-7,9,13,16H,8,10-12,14-15H2,1-2H3;4-5,8,12-14H,2-3,6-7,9-11H2,1H3
InChIKeyCDYOEAGMGDAFIX-UHFFFAOYSA-N
XLogP24.87
TPSA146.43 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001930.51
LogP ≤ 524.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one with MolForge

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Related Compounds

1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one;3-chloro-1-(cyclopropylmethyl)-4-[4-(fluoromethyl)-4-phenylpiperidin-1-yl]pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one
CID 161367350
1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
CID 118714755
3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one
CID 118263406
1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one
CID 59497091
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane
CID 143435632
1-butyl-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-2-oxopyridine-3-carbonitrile
CID 25017356
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971
1-tert-butyl-3-(2,4-difluorophenyl)pyrrolidine;ethane;formic acid
CID 143435697
1-[2-[1-[(3R,4R)-1-tert-butyl-4-(4-ethoxyphenyl)-3-fluoropyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 126749262
1-[2-[1-[(3R,4R)-1-tert-butyl-3-fluoro-4-(4-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 130187034
1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine
CID 23142503

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one?
The IUPAC name of 1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one (CID 164963597) is 1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one.
What is the SMILES notation for 1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one?
The canonical SMILES for 1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one is CC(C)CCn1ccc(N2CCC(F)(c3ccccc3)CC2)c(Cl)c1=O.CC(C)CCn1ccc(N2CCC(c3ccc(F)cc3F)CC2)c(Cl)c1=O.CCCCn1ccc(N2CCC(c3ccc(C(C)(C)O)cc3)CC2)c(Cl)c1=O.CCCCn1ccc(N2CCC(c3ccc(F)cc3F)CC2)c(Cl)c1=O.O=c1c(Cl)c(N2CCC(F)(c3ccccc3)CC2)ccn1CCC1CC1.
What is the InChIKey of 1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one?
The InChIKey is CDYOEAGMGDAFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O2.C21H25ClF2N2O.C21H24ClFN2O.C21H26ClFN2O.C20H23ClF2N2O/c1-4-5-13-26-16-12-20(21(24)22(26)27)25-14-10-18(11-15-25)17-6-8-19(9-7-17)23(2,3)28;1-14(2)5-9-26-12-8-19(20(22)21(26)27)25-10-6-15(7-11-25)17-4-3-16(23)13-18(17)24;22-19-18(9-13-25(20(19)26)12-8-16-6-7-16)24-14-10-21(23,11-15-24)17-4-2-1-3-5-17;1-16(2)8-12-25-13-9-18(19(22)20(25)26)24-14-10-21(23,11-15-24)17-6-4-3-5-7-17;1-2-3-9-25-12-8-18(19(21)20(25)26)24-10-6-14(7-11-24)16-5-4-15(22)13-17(16)23/h6-9,12,16,18,28H,4-5,10-11,13-15H2,1-3H3;3-4,8,12-15H,5-7,9-11H2,1-2H3;1-5,9,13,16H,6-8,10-12,14-15H2;3-7,9,13,16H,8,10-12,14-15H2,1-2H3;4-5,8,12-14H,2-3,6-7,9-11H2,1H3.
What are the key properties of 1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one?
1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one has a molecular weight of 1930.51 g/mol, XLogP of 24.87, 26 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one;1-butyl-3-chloro-4-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]pyridin-2-one;3-chloro-1-(2-cyclopropylethyl)-4-(4-fluoro-4-phenylpiperidin-1-yl)pyridin-2-one;3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-1-(3-methylbutyl)pyridin-2-one;3-chloro-4-(4-fluoro-4-phenylpiperidin-1-yl)-1-(3-methylbutyl)pyridin-2-one is sourced from PubChem (CID 164963597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).