1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one

C20H31FN2O3 — CID 56760666

IUPAC1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one
SMILESCOc1ccc(F)c(CN2CCCC(O)(CN(C)CCC(C)C)C2=O)c1
InChIInChI=1S/C20H31FN2O3/c1-15(2)8-11-22(3)14-20(25)9-5-10-23(19(20)24)13-16-12-17(26-4)6-7-18(16)21/h6-7,12,15,25H,5,8-11,13-14H2,1-4H3
InChIKeyFQBYELOUBGZUDU-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.67
Rot. Bonds8

About 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one

1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one (PubChem CID 56760666) has the molecular formula C20H31FN2O3 and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one
PubChem CID56760666
Molecular FormulaC20H31FN2O3
Molecular Weight366.48 g/mol
Exact Mass366.23
IUPAC Name1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one
SMILESCOc1ccc(F)c(CN2CCCC(O)(CN(C)CCC(C)C)C2=O)c1
InChIInChI=1S/C20H31FN2O3/c1-15(2)8-11-22(3)14-20(25)9-5-10-23(19(20)24)13-16-12-17(26-4)6-7-18(16)21/h6-7,12,15,25H,5,8-11,13-14H2,1-4H3
InChIKeyFQBYELOUBGZUDU-UHFFFAOYSA-N
XLogP2.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(2-methylpropyl)amino]methyl]piperidin-2-one
CID 95230587
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[3-hydroxypropyl(methyl)amino]methyl]piperidin-2-one
CID 95217289
2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide
CID 95193525
(3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95205000
2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]-N-propan-2-ylacetamide
CID 95227140
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]piperidin-2-one
CID 56759576
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one
CID 95191384
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[2-(methylamino)ethylamino]methyl]piperidin-2-one;dihydrochloride
CID 154887095
3-[(2,2-dimethylpropylamino)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 56748993
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(2-hydroxyethylamino)methyl]piperidin-2-one
CID 56706258
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one
CID 95213366
(3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95204042

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one?
The IUPAC name of 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one (CID 56760666) is 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one?
The canonical SMILES for 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one is COc1ccc(F)c(CN2CCCC(O)(CN(C)CCC(C)C)C2=O)c1.
What is the InChIKey of 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one?
The InChIKey is FQBYELOUBGZUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O3/c1-15(2)8-11-22(3)14-20(25)9-5-10-23(19(20)24)13-16-12-17(26-4)6-7-18(16)21/h6-7,12,15,25H,5,8-11,13-14H2,1-4H3.
What are the key properties of 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one?
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one has a molecular weight of 366.48 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 56760666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).