2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide

C18H26FN3O4 — CID 95193525

IUPAC2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C[C@@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O
InChIInChI=1S/C18H26FN3O4/c1-20-16(23)11-21(2)12-18(25)7-4-8-22(17(18)24)10-13-9-14(26-3)5-6-15(13)19/h5-6,9,25H,4,7-8,10-12H2,1-3H3,(H,20,23)/t18-/m0/s1
InChIKeyXYIASCKSBQYRMT-SFHVURJKSA-N
MW367.42 g/mol
LogP0.37
Rot. Bonds7

About 2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide

2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide (PubChem CID 95193525) has the molecular formula C18H26FN3O4 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide
PubChem CID95193525
Molecular FormulaC18H26FN3O4
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)C[C@@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O
InChIInChI=1S/C18H26FN3O4/c1-20-16(23)11-21(2)12-18(25)7-4-8-22(17(18)24)10-13-9-14(26-3)5-6-15(13)19/h5-6,9,25H,4,7-8,10-12H2,1-3H3,(H,20,23)/t18-/m0/s1
InChIKeyXYIASCKSBQYRMT-SFHVURJKSA-N
XLogP0.37
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one
CID 56760666
(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
(3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95205000
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[2-(methylamino)ethylamino]methyl]piperidin-2-one;dihydrochloride
CID 154887095
3-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]propanamide
CID 95200120
3-[[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]propanamide
CID 95200121
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-(propylaminomethyl)piperidin-2-one
CID 95213366
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-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one
CID 95191384
2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]-N-propan-2-ylacetamide
CID 95227140

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide (CID 95193525) is 2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)C[C@@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O.
What is the InChIKey of 2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide?
The InChIKey is XYIASCKSBQYRMT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26FN3O4/c1-20-16(23)11-21(2)12-18(25)7-4-8-22(17(18)24)10-13-9-14(26-3)5-6-15(13)19/h5-6,9,25H,4,7-8,10-12H2,1-3H3,(H,20,23)/t18-/m0/s1.
What are the key properties of 2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide?
2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide has a molecular weight of 367.42 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 95193525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).