4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

C17H21FN2O2 — CID 155976717

IUPAC4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2)C1)N1CCCC(CF)C1
InChIInChI=1S/C17H21FN2O2/c18-10-13-5-4-8-19(11-13)17(22)14-9-16(21)20(12-14)15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2
InChIKeyKKCYWXBPILBPOU-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.25
Rot. Bonds3

About 4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one

4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 155976717) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID155976717
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2)C1)N1CCCC(CF)C1
InChIInChI=1S/C17H21FN2O2/c18-10-13-5-4-8-19(11-13)17(22)14-9-16(21)20(12-14)15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2
InChIKeyKKCYWXBPILBPOU-UHFFFAOYSA-N
XLogP2.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110633189
4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 90505007
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
4-ethyl-3-[[(3R)-1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperidin-3-yl]methyl]-1H-1,2,4-triazol-5-one
CID 100675396
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158638
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90642251
1-(4-methoxyphenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119398709
1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110020269
(3S)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136562

Frequently Asked Questions

What is the IUPAC name of 4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 155976717) is 4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is O=C(C1CC(=O)N(c2ccccc2)C1)N1CCCC(CF)C1.
What is the InChIKey of 4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is KKCYWXBPILBPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-10-13-5-4-8-19(11-13)17(22)14-9-16(21)20(12-14)15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2.
What are the key properties of 4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one?
4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 304.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 155976717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).