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

C18H23FN2O2 — CID 95740187

IUPAC(5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one
SMILESCN1C(=O)CC[C@H](C(=O)N2CCCCC2)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C18H23FN2O2/c1-20-16(22)9-8-15(18(23)21-10-3-2-4-11-21)17(20)13-6-5-7-14(19)12-13/h5-7,12,15,17H,2-4,8-11H2,1H3/t15-,17-/m0/s1
InChIKeyZVCVGJCCWPUUHV-RDJZCZTQSA-N
MW318.39 g/mol
LogP2.75
Rot. Bonds2

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

(5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one (PubChem CID 95740187) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is (5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one
PubChem CID95740187
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name(5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one
SMILESCN1C(=O)CC[C@H](C(=O)N2CCCCC2)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C18H23FN2O2/c1-20-16(22)9-8-15(18(23)21-10-3-2-4-11-21)17(20)13-6-5-7-14(19)12-13/h5-7,12,15,17H,2-4,8-11H2,1H3/t15-,17-/m0/s1
InChIKeyZVCVGJCCWPUUHV-RDJZCZTQSA-N
XLogP2.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,6S)-6-(3-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 95740162
(5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 95740180
(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
(5R,6S)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738417
(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738418
(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 95740004
6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 56730472
(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
1-[2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354141
1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
CID 56730517

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one?
The IUPAC name of (5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one (CID 95740187) is (5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for (5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for (5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one is CN1C(=O)CC[C@H](C(=O)N2CCCCC2)[C@@H]1c1cccc(F)c1.
What is the InChIKey of (5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one?
The InChIKey is ZVCVGJCCWPUUHV-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-20-16(22)9-8-15(18(23)21-10-3-2-4-11-21)17(20)13-6-5-7-14(19)12-13/h5-7,12,15,17H,2-4,8-11H2,1H3/t15-,17-/m0/s1.
What are the key properties of (5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one?
(5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one has a molecular weight of 318.39 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 95740187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).