1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

C18H24FN3O2 — CID 24817138

IUPAC1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H24FN3O2/c19-14-5-7-15(8-6-14)20-16-3-1-11-22(13-16)18(24)9-12-21-10-2-4-17(21)23/h5-8,16,20H,1-4,9-13H2
InChIKeyYUODDUZZEIBDPM-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.24
Rot. Bonds5

About 1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (PubChem CID 24817138) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
PubChem CID24817138
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H24FN3O2/c19-14-5-7-15(8-6-14)20-16-3-1-11-22(13-16)18(24)9-12-21-10-2-4-17(21)23/h5-8,16,20H,1-4,9-13H2
InChIKeyYUODDUZZEIBDPM-UHFFFAOYSA-N
XLogP2.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-Propionylaniline)piperidine
CID 259381
N-Phenyl-2-piperidinosuccinimide
CID 250855
N-(4-Piperidinyl)phenylacetamide
CID 74156
N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 649412
1-[3-[4-(4-Fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 9904604
Felipyrine
CID 71108
N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 790557
N-(4-fluorophenyl)-2-(pyrrolidin-1-yl)acetamide
CID 934518
Ethyl 4-(3-((3,4-difluorophenyl)amino)-3-oxopropyl)piperazine-1-carboxylate
CID 719532
3-[(4-Fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 2877115
N-cyclopropyl-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 3148502
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (CID 24817138) is 1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is O=C1CCCN1CCC(=O)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is YUODDUZZEIBDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-14-5-7-15(8-6-14)20-16-3-1-11-22(13-16)18(24)9-12-21-10-2-4-17(21)23/h5-8,16,20H,1-4,9-13H2.
What are the key properties of 1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 333.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-fluoroanilino)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 24817138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).