6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one

C17H21FN2O2 — CID 56730472

IUPAC6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
SMILESCN1C(=O)CCC(C(=O)N2CCCC2)C1c1ccccc1F
InChIInChI=1S/C17H21FN2O2/c1-19-15(21)9-8-13(17(22)20-10-4-5-11-20)16(19)12-6-2-3-7-14(12)18/h2-3,6-7,13,16H,4-5,8-11H2,1H3
InChIKeyIECIGWDCRRHITL-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.36
Rot. Bonds2

About 6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one

6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one (PubChem CID 56730472) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
PubChem CID56730472
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
SMILESCN1C(=O)CCC(C(=O)N2CCCC2)C1c1ccccc1F
InChIInChI=1S/C17H21FN2O2/c1-19-15(21)9-8-13(17(22)20-10-4-5-11-20)16(19)12-6-2-3-7-14(12)18/h2-3,6-7,13,16H,4-5,8-11H2,1H3
InChIKeyIECIGWDCRRHITL-UHFFFAOYSA-N
XLogP2.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,6R)-6-(2-fluorophenyl)-1-(2-methoxyethyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 110086886
(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,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
N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 56730429
1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
CID 56730517
(5R,6R)-1-ethyl-6-(2-methylphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 110086882
(5R,6S)-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-(4-methoxyphenyl)-1-methylpiperidin-2-one
CID 95740284
N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 56730452
(5S,6R)-6-(4-fluorophenyl)-1-methyl-5-(morpholine-4-carbonyl)piperidin-2-one
CID 97457697
(5R,6S)-6-(3-fluorophenyl)-1-methyl-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 95740180

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The IUPAC name of 6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one (CID 56730472) is 6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one is CN1C(=O)CCC(C(=O)N2CCCC2)C1c1ccccc1F.
What is the InChIKey of 6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
The InChIKey is IECIGWDCRRHITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-19-15(21)9-8-13(17(22)20-10-4-5-11-20)16(19)12-6-2-3-7-14(12)18/h2-3,6-7,13,16H,4-5,8-11H2,1H3.
What are the key properties of 6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one?
6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one has a molecular weight of 304.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 56730472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).