1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C18H23FN2O3 — CID 110020269

IUPAC1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cc(N2CC(C(=O)N3CCCC(CO)C3)CC2=O)ccc1F
InChIInChI=1S/C18H23FN2O3/c1-12-7-15(4-5-16(12)19)21-10-14(8-17(21)23)18(24)20-6-2-3-13(9-20)11-22/h4-5,7,13-14,22H,2-3,6,8-11H2,1H3
InChIKeyRMBYZQNHRLXMLH-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.72
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one

1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110020269) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID110020269
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cc(N2CC(C(=O)N3CCCC(CO)C3)CC2=O)ccc1F
InChIInChI=1S/C18H23FN2O3/c1-12-7-15(4-5-16(12)19)21-10-14(8-17(21)23)18(24)20-6-2-3-13(9-20)11-22/h4-5,7,13-14,22H,2-3,6,8-11H2,1H3
InChIKeyRMBYZQNHRLXMLH-UHFFFAOYSA-N
XLogP1.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110633189
1-[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 120512252
1-[(3S)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 129402129
1-(3-fluoro-4-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 42939807
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
N-[[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55666215
1-(3,4-difluorophenyl)-4-(3-ethynylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 126822518
(4S)-1-(3-chloro-4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351913
4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 155976717
4-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 90641553
[(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide
CID 124861676

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 110020269) is 1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one is Cc1cc(N2CC(C(=O)N3CCCC(CO)C3)CC2=O)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is RMBYZQNHRLXMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-12-7-15(4-5-16(12)19)21-10-14(8-17(21)23)18(24)20-6-2-3-13(9-20)11-22/h4-5,7,13-14,22H,2-3,6,8-11H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 334.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110020269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).