1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one

C21H25FN2O3 — CID 24793266

IUPAC1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1c(C(=O)N2CCCCC2CCN2CCCC2=O)oc2c(F)cccc12
InChIInChI=1S/C21H25FN2O3/c1-14-16-7-4-8-17(22)20(16)27-19(14)21(26)24-12-3-2-6-15(24)10-13-23-11-5-9-18(23)25/h4,7-8,15H,2-3,5-6,9-13H2,1H3
InChIKeyPIGFURWTRPQUDZ-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.89
Rot. Bonds4

About 1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 24793266) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID24793266
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1c(C(=O)N2CCCCC2CCN2CCCC2=O)oc2c(F)cccc12
InChIInChI=1S/C21H25FN2O3/c1-14-16-7-4-8-17(22)20(16)27-19(14)21(26)24-12-3-2-6-15(24)10-13-23-11-5-9-18(23)25/h4,7-8,15H,2-3,5-6,9-13H2,1H3
InChIKeyPIGFURWTRPQUDZ-UHFFFAOYSA-N
XLogP3.89
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70741060
1-[2-[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 131923446
1-[2-[(2S)-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 97041667
1-[2-[1-(3-chloro-1H-indole-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 72840028
(2R)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712196
(2S)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712197
6-methyl-1-[3-oxo-3-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]propyl]pyridin-2-one
CID 72841430
1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 96574158
1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70772143
1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 46967217
(7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948028
1-[2-[(2S)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 124842042

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 24793266) is 1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one is Cc1c(C(=O)N2CCCCC2CCN2CCCC2=O)oc2c(F)cccc12.
What is the InChIKey of 1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is PIGFURWTRPQUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-14-16-7-4-8-17(22)20(16)27-19(14)21(26)24-12-3-2-6-15(24)10-13-23-11-5-9-18(23)25/h4,7-8,15H,2-3,5-6,9-13H2,1H3.
What are the key properties of 1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 372.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 24793266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).