(5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one

C17H21FN2O2S — CID 95740180

IUPAC(5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one
SMILESCN1C(=O)CC[C@@H](C(=O)N2CCSCC2)[C@H]1c1cccc(F)c1
InChIInChI=1S/C17H21FN2O2S/c1-19-15(21)6-5-14(17(22)20-7-9-23-10-8-20)16(19)12-3-2-4-13(18)11-12/h2-4,11,14,16H,5-10H2,1H3/t14-,16-/m1/s1
InChIKeyUMDQKTWHGQJLLQ-GDBMZVCRSA-N
MW336.43 g/mol
LogP2.31
Rot. Bonds2

About (5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one

(5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one (PubChem CID 95740180) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is (5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one
PubChem CID95740180
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC Name(5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one
SMILESCN1C(=O)CC[C@@H](C(=O)N2CCSCC2)[C@H]1c1cccc(F)c1
InChIInChI=1S/C17H21FN2O2S/c1-19-15(21)6-5-14(17(22)20-7-9-23-10-8-20)16(19)12-3-2-4-13(18)11-12/h2-4,11,14,16H,5-10H2,1H3/t14-,16-/m1/s1
InChIKeyUMDQKTWHGQJLLQ-GDBMZVCRSA-N
XLogP2.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,6S)-6-(3-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 95740162
(5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95740187
(5R,6R)-5-(4-ethylpiperazine-1-carbonyl)-6-(3-fluorophenyl)-1-methylpiperidin-2-one
CID 95740139
(5R,6S)-5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(3-fluorophenyl)-1-methylpiperidin-2-one
CID 95740114
(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740528
(4R,5R)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740527
(4S,5S)-5-(4-fluorophenyl)-1-methyl-4-(thiomorpholine-4-carbonyl)pyrrolidin-2-one
CID 95740508
1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
CID 56730517
(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 97457697
(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 95740004
2-(3-fluorophenyl)-1-methyl-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
CID 71689537
2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 71689521

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The IUPAC name of (5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one (CID 95740180) is (5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one.
What is the SMILES notation for (5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The canonical SMILES for (5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one is CN1C(=O)CC[C@@H](C(=O)N2CCSCC2)[C@H]1c1cccc(F)c1.
What is the InChIKey of (5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
The InChIKey is UMDQKTWHGQJLLQ-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-19-15(21)6-5-14(17(22)20-7-9-23-10-8-20)16(19)12-3-2-4-13(18)11-12/h2-4,11,14,16H,5-10H2,1H3/t14-,16-/m1/s1.
What are the key properties of (5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one?
(5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one has a molecular weight of 336.43 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one is sourced from PubChem (CID 95740180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).