6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

C16H20ClFN2O2 — CID 162533418

IUPAC6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(c2cc(F)ccc2Cl)C1
InChIInChI=1S/C16H20ClFN2O2/c1-10-9-22-5-4-20(10)12-7-15(19-16(21)8-12)13-6-11(18)2-3-14(13)17/h2-3,6,10,12,15H,4-5,7-9H2,1H3,(H,19,21)/t10-,12?,15?/m1/s1
InChIKeyMYSQLENDTWYCGK-CKQAKLJMSA-N
MW326.80 g/mol
LogP2.52
Rot. Bonds2

About 6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (PubChem CID 162533418) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is 6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
PubChem CID162533418
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC Name6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(c2cc(F)ccc2Cl)C1
InChIInChI=1S/C16H20ClFN2O2/c1-10-9-22-5-4-20(10)12-7-15(19-16(21)8-12)13-6-11(18)2-3-14(13)17/h2-3,6,10,12,15H,4-5,7-9H2,1H3,(H,19,21)/t10-,12?,15?/m1/s1
InChIKeyMYSQLENDTWYCGK-CKQAKLJMSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 1094119
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
2-[1-(2-chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 24792980
3-[(3S,4R)-1-[(3-chlorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 45488439
US9415055, 2-Chloro-N-[2-(4-fluoro-phenyl)-2-morpholin-4-yl-ethyl]-5-methyl-benzamide
CID 73673675
US11077113, Example 12
CID 162533422
3-acetamido-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 4884406
2-chloro-N-[3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 18136223
N-(3-chlorobenzyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24790428
[(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 134805759
6-(2-chlorophenyl)-4-morpholino-1H-pyridin-2-one
CID 162533413
US11077113, Example 3
CID 162533414

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The IUPAC name of 6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (CID 162533418) is 6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The canonical SMILES for 6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(c2cc(F)ccc2Cl)C1.
What is the InChIKey of 6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The InChIKey is MYSQLENDTWYCGK-CKQAKLJMSA-N. The full InChI is InChI=1S/C16H20ClFN2O2/c1-10-9-22-5-4-20(10)12-7-15(19-16(21)8-12)13-6-11(18)2-3-14(13)17/h2-3,6,10,12,15H,4-5,7-9H2,1H3,(H,19,21)/t10-,12?,15?/m1/s1.
What are the key properties of 6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one has a molecular weight of 326.80 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluorophenyl)-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 162533418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).