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

C104H125Cl5F6N10O6 — CID 161367350

IUPAC1-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
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(CO)(c3ccccc3)CC2)c(Cl)c1=O.CCCCn1ccc(N2CCC(c3ccc(F)cc3F)CC2)c(Cl)c1=O.O=c1c(Cl)c(N2CCC(CF)(c3ccccc3)CC2)ccn1CC1CC1
InChIInChI=1S/C21H25ClF2N2O.C21H24ClFN2O.C21H26ClFN2O.C21H27ClN2O2.C20H23ClF2N2O/c1-14(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(8-11-25(20(19)26)14-16-6-7-16)24-12-9-21(15-23,10-13-24)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;1-2-3-12-24-13-9-18(19(22)20(24)26)23-14-10-21(16-25,11-15-23)17-7-5-4-6-8-17;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/h3-4,8,12-15H,5-7,9-11H2,1-2H3;1-5,8,11,16H,6-7,9-10,12-15H2;3-7,9,13,16H,8,10-12,14-15H2,1-2H3;4-9,13,25H,2-3,10-12,14-16H2,1H3;4-5,8,12-14H,2-3,6-7,9-11H2,1H3
InChIKeyVPZILLGIUOSHIW-UHFFFAOYSA-N
MW1902.46 g/mol
LogP23.44
Rot. Bonds26

About 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

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 (PubChem CID 161367350) has the molecular formula C104H125Cl5F6N10O6 and a molecular weight of 1902.46 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-(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.

Molecular Properties

Compound Name1-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
PubChem CID161367350
Molecular FormulaC104H125Cl5F6N10O6
Molecular Weight1902.46 g/mol
Exact Mass1898.81
IUPAC Name1-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
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(CO)(c3ccccc3)CC2)c(Cl)c1=O.CCCCn1ccc(N2CCC(c3ccc(F)cc3F)CC2)c(Cl)c1=O.O=c1c(Cl)c(N2CCC(CF)(c3ccccc3)CC2)ccn1CC1CC1
InChIInChI=1S/C21H25ClF2N2O.C21H24ClFN2O.C21H26ClFN2O.C21H27ClN2O2.C20H23ClF2N2O/c1-14(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(8-11-25(20(19)26)14-16-6-7-16)24-12-9-21(15-23,10-13-24)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;1-2-3-12-24-13-9-18(19(22)20(24)26)23-14-10-21(16-25,11-15-23)17-7-5-4-6-8-17;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/h3-4,8,12-15H,5-7,9-11H2,1-2H3;1-5,8,11,16H,6-7,9-10,12-15H2;3-7,9,13,16H,8,10-12,14-15H2,1-2H3;4-9,13,25H,2-3,10-12,14-16H2,1H3;4-5,8,12-14H,2-3,6-7,9-11H2,1H3
InChIKeyVPZILLGIUOSHIW-UHFFFAOYSA-N
XLogP23.44
TPSA146.43 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001902.46
LogP ≤ 523.44
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-(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 with MolForge

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Launch Full Analysis

Related Compounds

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
3-chloro-1-(cyclopropylmethyl)-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyridin-2-one
CID 118263406
1-(cyclopropylmethyl)-4-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
CID 118714755
1-butyl-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]-2-oxopyridine-3-carbonitrile
CID 25017356
1-butyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one
CID 59497091
[1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol
CID 167867904
4-(2,4-difluorophenyl)-1-propan-2-ylpiperidine
CID 59361746
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
2-[4-[1-(3-methylbutyl)indol-3-yl]piperidin-1-yl]benzoic acid
CID 141032395
4-(fluoromethyl)-1-methyl-4-phenylpiperidine;4-(fluoromethyl)-4-phenylpiperidine;(1-methyl-4-phenylpiperidin-4-yl)methanol
CID 160905848
5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one
CID 169119762
1-(cyclopropylmethyl)-4-[4-(methylamino)-4-phenylpiperidin-1-yl]pyridin-2-one
CID 163977971

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-(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?
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-(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) is 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.
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-(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?
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-(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 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(CO)(c3ccccc3)CC2)c(Cl)c1=O.CCCCn1ccc(N2CCC(c3ccc(F)cc3F)CC2)c(Cl)c1=O.O=c1c(Cl)c(N2CCC(CF)(c3ccccc3)CC2)ccn1CC1CC1.
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-(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?
The InChIKey is VPZILLGIUOSHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClF2N2O.C21H24ClFN2O.C21H26ClFN2O.C21H27ClN2O2.C20H23ClF2N2O/c1-14(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(8-11-25(20(19)26)14-16-6-7-16)24-12-9-21(15-23,10-13-24)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;1-2-3-12-24-13-9-18(19(22)20(24)26)23-14-10-21(16-25,11-15-23)17-7-5-4-6-8-17;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/h3-4,8,12-15H,5-7,9-11H2,1-2H3;1-5,8,11,16H,6-7,9-10,12-15H2;3-7,9,13,16H,8,10-12,14-15H2,1-2H3;4-9,13,25H,2-3,10-12,14-16H2,1H3;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-(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?
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 has a molecular weight of 1902.46 g/mol, XLogP of 23.44, 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-(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 is sourced from PubChem (CID 161367350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).