4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one

C18H21FN2O — CID 94632207

IUPAC4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)cc1=O
InChIInChI=1S/C18H21FN2O/c1-20-10-8-15(12-18(20)22)13-21-9-2-3-17(21)11-14-4-6-16(19)7-5-14/h4-8,10,12,17H,2-3,9,11,13H2,1H3/t17-/m1/s1
InChIKeySXSIGNCEJHDTFQ-QGZVFWFLSA-N
MW300.38 g/mol
LogP2.73
Rot. Bonds4

About 4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one

4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 94632207) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID94632207
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)cc1=O
InChIInChI=1S/C18H21FN2O/c1-20-10-8-15(12-18(20)22)13-21-9-2-3-17(21)11-14-4-6-16(19)7-5-14/h4-8,10,12,17H,2-3,9,11,13H2,1H3/t17-/m1/s1
InChIKeySXSIGNCEJHDTFQ-QGZVFWFLSA-N
XLogP2.73
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
CID 53191773
6-[[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 95578957
2-[[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924882
6-tert-butyl-2-[[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924053
N-cyclopropyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 47377026
4-[(4-fluorophenyl)methylsulfonylmethyl]-1-methylpyridin-2-one
CID 75461659
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
4-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one
CID 94385398
N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580001
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 53191759
5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899075
4-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-phenylpyrazole-3-carboxylic acid
CID 166253630

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one (CID 94632207) is 4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one is Cn1ccc(CN2CCC[C@@H]2Cc2ccc(F)cc2)cc1=O.
What is the InChIKey of 4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is SXSIGNCEJHDTFQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-20-10-8-15(12-18(20)22)13-21-9-2-3-17(21)11-14-4-6-16(19)7-5-14/h4-8,10,12,17H,2-3,9,11,13H2,1H3/t17-/m1/s1.
What are the key properties of 4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one?
4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 300.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 94632207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).