(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one

C18H22FN3O2S — CID 26330916

IUPAC(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one
SMILESCN(Cc1nccs1)C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H22FN3O2S/c1-21(12-16-20-8-10-25-16)13-18(24)7-2-9-22(17(18)23)11-14-3-5-15(19)6-4-14/h3-6,8,10,24H,2,7,9,11-13H2,1H3/t18-/m0/s1
InChIKeyVRGYIZXWNSABKB-SFHVURJKSA-N
MW363.46 g/mol
LogP2.27
Rot. Bonds6

About (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one

(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one (PubChem CID 26330916) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one
PubChem CID26330916
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC Name(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one
SMILESCN(Cc1nccs1)C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C18H22FN3O2S/c1-21(12-16-20-8-10-25-16)13-18(24)7-2-9-22(17(18)23)11-14-3-5-15(19)6-4-14/h3-6,8,10,24H,2,7,9,11-13H2,1H3/t18-/m0/s1
InChIKeyVRGYIZXWNSABKB-SFHVURJKSA-N
XLogP2.27
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]piperidin-2-one
CID 45245501
(3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one
CID 42565885
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]piperidin-2-one
CID 25286305
3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 56759350
1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one
CID 45247476
(3S)-3-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 95194377
(3S)-3-[(cyclobutylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 26396288
(3S)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-2-one
CID 95222588
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one
CID 25366923
3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 56748965
(3R)-3-[[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 95220331
(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
CID 25493591

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one?
The IUPAC name of (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one (CID 26330916) is (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one.
What is the SMILES notation for (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one?
The canonical SMILES for (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one is CN(Cc1nccs1)C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one?
The InChIKey is VRGYIZXWNSABKB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c1-21(12-16-20-8-10-25-16)13-18(24)7-2-9-22(17(18)23)11-14-3-5-15(19)6-4-14/h3-6,8,10,24H,2,7,9,11-13H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one?
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one has a molecular weight of 363.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 26330916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).