1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C19H26FN3O2 — CID 3674104

IUPAC1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCC(C)N1C(=O)CCC1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H26FN3O2/c1-3-14(2)23-17(8-9-18(23)24)19(25)22-12-10-21(11-13-22)16-7-5-4-6-15(16)20/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyNQULJDYGGWOUNC-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.26
Rot. Bonds4

About 1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 3674104) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID3674104
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCC(C)N1C(=O)CCC1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H26FN3O2/c1-3-14(2)23-17(8-9-18(23)24)19(25)22-12-10-21(11-13-22)16-7-5-4-6-15(16)20/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyNQULJDYGGWOUNC-UHFFFAOYSA-N
XLogP2.26
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenampromide
CID 8523
N-Phenyl-2-piperidinosuccinimide
CID 250855
1-[3-[4-(4-Fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 9904604
Felipyrine
CID 71108
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
CID 3719436
5-{[4-(4-Fluorophenyl)piperazin-1-yl]carbonyl}-1-(4-methylbenzyl)pyrrolidin-2-one
CID 3240795
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 23646334
3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2833555
1-Benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
2-{4-[4-(4-fluorophenyl)-1-piperazinyl]butyl}tetrahydroimidazo[1,5-a]pyridine-1,3(2H,5H)-dione
CID 4052712
N-(3-fluorophenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4881886
4-(3,5-Dimethylpiperidine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 6493312

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 3674104) is 1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is CCC(C)N1C(=O)CCC1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is NQULJDYGGWOUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-3-14(2)23-17(8-9-18(23)24)19(25)22-12-10-21(11-13-22)16-7-5-4-6-15(16)20/h4-7,14,17H,3,8-13H2,1-2H3.
What are the key properties of 1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 347.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 3674104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).