(5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one

C19H25FN2O3 — CID 110086886

IUPAC(5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
SMILESCOCCN1C(=O)CC[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccccc1F
InChIInChI=1S/C19H25FN2O3/c1-25-13-12-22-17(23)9-8-15(19(24)21-10-4-5-11-21)18(22)14-6-2-3-7-16(14)20/h2-3,6-7,15,18H,4-5,8-13H2,1H3/t15-,18+/m1/s1
InChIKeyNNZPTJHCDWWLMS-QAPCUYQASA-N
MW348.42 g/mol
LogP2.37
Rot. Bonds5

About (5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one

(5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one (PubChem CID 110086886) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is (5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
PubChem CID110086886
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name(5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
SMILESCOCCN1C(=O)CC[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccccc1F
InChIInChI=1S/C19H25FN2O3/c1-25-13-12-22-17(23)9-8-15(19(24)21-10-4-5-11-21)18(22)14-6-2-3-7-16(14)20/h2-3,6-7,15,18H,4-5,8-13H2,1H3/t15-,18+/m1/s1
InChIKeyNNZPTJHCDWWLMS-QAPCUYQASA-N
XLogP2.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 110087175
(2R,3R)-2-(2-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 110086982
6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 56730472
(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 110086882
2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one
CID 53147763
(2S,3S)-1-(2-methoxyethyl)-6-oxo-2-[2-(trifluoromethyl)phenyl]piperidine-3-carboxylic acid
CID 95276734
1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one
CID 55567142
(2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
CID 16765267
N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55862308
(2R,3R)-N-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)-N-methyl-2-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110087157
(2R,3R)-1-(2-methoxyethyl)-2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 110087110
(2R,3R)-N-cyclopentyl-1-ethyl-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxamide
CID 110086897

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The IUPAC name of (5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one (CID 110086886) is (5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for (5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one is COCCN1C(=O)CC[C@@H](C(=O)N2CCCC2)[C@@H]1c1ccccc1F.
What is the InChIKey of (5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The InChIKey is NNZPTJHCDWWLMS-QAPCUYQASA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-25-13-12-22-17(23)9-8-15(19(24)21-10-4-5-11-21)18(22)14-6-2-3-7-16(14)20/h2-3,6-7,15,18H,4-5,8-13H2,1H3/t15-,18+/m1/s1.
What are the key properties of (5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
(5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one has a molecular weight of 348.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 110086886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).