1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one

C19H27FN2O3 — CID 45237305

IUPAC1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one
SMILESCN(CC1(O)CCCN(Cc2ccc(F)cc2)C1=O)C1CCOCC1
InChIInChI=1S/C19H27FN2O3/c1-21(17-7-11-25-12-8-17)14-19(24)9-2-10-22(18(19)23)13-15-3-5-16(20)6-4-15/h3-6,17,24H,2,7-14H2,1H3
InChIKeyOWGGAOIHQXOZKA-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.79
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one

1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one (PubChem CID 45237305) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one
PubChem CID45237305
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one
SMILESCN(CC1(O)CCCN(Cc2ccc(F)cc2)C1=O)C1CCOCC1
InChIInChI=1S/C19H27FN2O3/c1-21(17-7-11-25-12-8-17)14-19(24)9-2-10-22(18(19)23)13-15-3-5-16(20)6-4-15/h3-6,17,24H,2,7-14H2,1H3
InChIKeyOWGGAOIHQXOZKA-UHFFFAOYSA-N
XLogP1.79
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one with MolForge

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Related Compounds

3-{[(2,2-Dimethylpropyl)amino]methyl}-1-(2-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45223099
US10927128, Example 89
CID 135374653
US10927128, Example 71
CID 135374664
US10927128, Example 69
CID 135374765
US10927128, Example 84
CID 135374773
US10927128, Example 85
CID 135374927
US10927128, Example 70
CID 135374933
1-(3-Fluorobenzyl)-5-{[4-(methoxymethyl)-1-piperidinyl]carbonyl}-2-piperidinone
CID 24817462
1-(2,3-Difluorobenzyl)-3-{[(2,2-dimethylpropyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45194009
3-[(Cyclopentylamino)methyl]-1-(2,3-difluorobenzyl)-3-hydroxy-2-piperidinone
CID 45248885
1-(2,3-Difluorobenzyl)-3-{[(3-fluorobenzyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45227864
US10421750, Example 27
CID 129053741

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one (CID 45237305) is 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one is CN(CC1(O)CCCN(Cc2ccc(F)cc2)C1=O)C1CCOCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one?
The InChIKey is OWGGAOIHQXOZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-21(17-7-11-25-12-8-17)14-19(24)9-2-10-22(18(19)23)13-15-3-5-16(20)6-4-15/h3-6,17,24H,2,7-14H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one?
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one has a molecular weight of 350.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 45237305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).