2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide

C19H24F2N4O3 — CID 86827838

IUPAC2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)C2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1
InChIInChI=1S/C19H24F2N4O3/c1-2-22-17(26)12-23-3-5-24(6-4-23)19(28)13-7-18(27)25(11-13)16-9-14(20)8-15(21)10-16/h8-10,13H,2-7,11-12H2,1H3,(H,22,26)
InChIKeyRSSKYHZCKJFKSX-UHFFFAOYSA-N
MW394.42 g/mol
LogP0.60
Rot. Bonds5

About 2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 86827838) has the molecular formula C19H24F2N4O3 and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID86827838
Molecular FormulaC19H24F2N4O3
Molecular Weight394.42 g/mol
Exact Mass394.18
IUPAC Name2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(C(=O)C2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1
InChIInChI=1S/C19H24F2N4O3/c1-2-22-17(26)12-23-3-5-24(6-4-23)19(28)13-7-18(27)25(11-13)16-9-14(20)8-15(21)10-16/h8-10,13H,2-7,11-12H2,1H3,(H,22,26)
InChIKeyRSSKYHZCKJFKSX-UHFFFAOYSA-N
XLogP0.60
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-difluorophenyl)-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 119541329
2-[4-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propylacetamide
CID 55583198
N-ethyl-2-[4-[(3S)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 97274799
1-(4-methylphenyl)-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034008
2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55575458
N-(2,6-dimethylphenyl)-2-[4-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 46809500
2-[4-[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 42949145
N-[4-[4-(4-ethylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 17120155
1-(3,5-difluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 55997866
1-(4-bromo-3-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113190401
N,N-diethyl-2-[4-[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 55446956
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 113190158

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide (CID 86827838) is 2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(C(=O)C2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1.
What is the InChIKey of 2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is RSSKYHZCKJFKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O3/c1-2-22-17(26)12-23-3-5-24(6-4-23)19(28)13-7-18(27)25(11-13)16-9-14(20)8-15(21)10-16/h8-10,13H,2-7,11-12H2,1H3,(H,22,26).
What are the key properties of 2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 394.42 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 86827838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).