1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one

C17H24FN3O — CID 119931685

IUPAC1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one
SMILESCN(CC1CCCNC1)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C17H24FN3O/c1-20(12-13-5-4-9-19-11-13)16-8-10-21(17(16)22)15-7-3-2-6-14(15)18/h2-3,6-7,13,16,19H,4-5,8-12H2,1H3
InChIKeyOYPNCNGYYXCCPL-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.86
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one

1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one (PubChem CID 119931685) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one
PubChem CID119931685
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one
SMILESCN(CC1CCCNC1)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C17H24FN3O/c1-20(12-13-5-4-9-19-11-13)16-8-10-21(17(16)22)15-7-3-2-6-14(15)18/h2-3,6-7,13,16,19H,4-5,8-12H2,1H3
InChIKeyOYPNCNGYYXCCPL-UHFFFAOYSA-N
XLogP1.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-[4-(4-Fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
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(2S,4S)-1-(2-(1-(4-cyano-3,5-difluorophenyl)piperidin-4-ylamino)acetyl)-4-fluoropyrrolidine-2-carbonitrile
CID 10296151
3-[(4-Fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 2877115
N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 2900552
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
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Felipyrine
CID 71108
1,3,8-Triazaspiro(4.5)decan-4-one, 3-methyl-1-phenyl-, hydrochloride (1:1)
CID 197731

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one (CID 119931685) is 1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one is CN(CC1CCCNC1)C1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one?
The InChIKey is OYPNCNGYYXCCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-20(12-13-5-4-9-19-11-13)16-8-10-21(17(16)22)15-7-3-2-6-14(15)18/h2-3,6-7,13,16,19H,4-5,8-12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one?
1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one has a molecular weight of 305.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 119931685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).