4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one

C18H21FN4O — CID 126899887

IUPAC4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H21FN4O/c19-10-13-9-18(24)23(12-13)14-5-7-22(8-6-14)17-11-20-15-3-1-2-4-16(15)21-17/h1-4,11,13-14H,5-10,12H2
InChIKeyMTXPSAUAQKVOJW-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.42
Rot. Bonds3

About 4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one

4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 126899887) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID126899887
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one
SMILESO=C1CC(CF)CN1C1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H21FN4O/c19-10-13-9-18(24)23(12-13)14-5-7-22(8-6-14)17-11-20-15-3-1-2-4-16(15)21-17/h1-4,11,13-14H,5-10,12H2
InChIKeyMTXPSAUAQKVOJW-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899802
2-[4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-3-methylquinazolin-4-one
CID 126899934
4-(fluoromethyl)-1-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899891
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899745
4-(fluoromethyl)-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899751
4-(fluoromethyl)-1-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)pyrrolidin-2-one
CID 126899883
1-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899942
2-[3-(bromomethyl)pyrrolidin-1-yl]quinoxaline
CID 80679052
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
2-(1-quinoxalin-2-ylpyrrolidin-3-yl)ethanamine
CID 114802420
1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone
CID 56815426

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one (CID 126899887) is 4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one is O=C1CC(CF)CN1C1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is MTXPSAUAQKVOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-10-13-9-18(24)23(12-13)14-5-7-22(8-6-14)17-11-20-15-3-1-2-4-16(15)21-17/h1-4,11,13-14H,5-10,12H2.
What are the key properties of 4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one?
4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 328.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-(1-quinoxalin-2-ylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 126899887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).