3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one

C19H25FN4O2 — CID 56753715

IUPAC3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
SMILESCCn1ccnc1CNCC1(O)CCCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C19H25FN4O2/c1-2-23-11-9-22-17(23)12-21-14-19(26)8-5-10-24(18(19)25)13-15-6-3-4-7-16(15)20/h3-4,6-7,9,11,21,26H,2,5,8,10,12-14H2,1H3
InChIKeyQGRGDWKEOXOHLS-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.69
Rot. Bonds7

About 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one

3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one (PubChem CID 56753715) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
PubChem CID56753715
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
SMILESCCn1ccnc1CNCC1(O)CCCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C19H25FN4O2/c1-2-23-11-9-22-17(23)12-21-14-19(26)8-5-10-24(18(19)25)13-15-6-3-4-7-16(15)20/h3-4,6-7,9,11,21,26H,2,5,8,10,12-14H2,1H3
InChIKeyQGRGDWKEOXOHLS-UHFFFAOYSA-N
XLogP1.69
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(3-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45237085
(3R)-3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 95189027
(3S)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 26405267
(3S)-3-[[(2-amino-3-pyridinyl)methylamino]methyl]-1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 95228887
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45211466
1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 45227864
methyl 2-[[(3R)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetate
CID 25449153
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidin-2-one
CID 45209624
(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one
CID 42310833
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(1H-imidazol-2-ylmethylamino)methyl]piperidin-2-one
CID 56748178
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one
CID 95213366
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)methyl]piperidin-2-one
CID 56757392

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one (CID 56753715) is 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one is CCn1ccnc1CNCC1(O)CCCN(Cc2ccccc2F)C1=O.
What is the InChIKey of 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The InChIKey is QGRGDWKEOXOHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-2-23-11-9-22-17(23)12-21-14-19(26)8-5-10-24(18(19)25)13-15-6-3-4-7-16(15)20/h3-4,6-7,9,11,21,26H,2,5,8,10,12-14H2,1H3.
What are the key properties of 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one has a molecular weight of 360.43 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-ethylimidazol-2-yl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 56753715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).