1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one

C18H24FN3O2 — CID 138057277

IUPAC1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCC1(C)C(c2cccc(F)c2)CCN1C(=O)CN1CCNCC1=O
InChIInChI=1S/C18H24FN3O2/c1-18(2)15(13-4-3-5-14(19)10-13)6-8-22(18)17(24)12-21-9-7-20-11-16(21)23/h3-5,10,15,20H,6-9,11-12H2,1-2H3
InChIKeyGVNOZWJXVWFTFN-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.35
Rot. Bonds3

About 1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one

1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 138057277) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID138057277
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCC1(C)C(c2cccc(F)c2)CCN1C(=O)CN1CCNCC1=O
InChIInChI=1S/C18H24FN3O2/c1-18(2)15(13-4-3-5-14(19)10-13)6-8-22(18)17(24)12-21-9-7-20-11-16(21)23/h3-5,10,15,20H,6-9,11-12H2,1-2H3
InChIKeyGVNOZWJXVWFTFN-UHFFFAOYSA-N
XLogP1.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
N-(2,3-difluorophenyl)-2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoacetamide
CID 146146796
1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 97023664
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
2-(1,1-dioxothiolan-3-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120737347
1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120736568
3-[2-(2,2-dimethyl-3-phenylpyrrolidin-1-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 122153153
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 120736192
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120735849
[2-(3-fluorophenyl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of 1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one (CID 138057277) is 1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one is CC1(C)C(c2cccc(F)c2)CCN1C(=O)CN1CCNCC1=O.
What is the InChIKey of 1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is GVNOZWJXVWFTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-18(2)15(13-4-3-5-14(19)10-13)6-8-22(18)17(24)12-21-9-7-20-11-16(21)23/h3-5,10,15,20H,6-9,11-12H2,1-2H3.
What are the key properties of 1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one?
1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 333.41 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(3-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 138057277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).