4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one

C18H23F2N3O3 — CID 49070823

IUPAC4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CC(C(=O)N2CCN(CC(F)F)CC2)CC1=O
InChIInChI=1S/C18H23F2N3O3/c1-26-15-5-3-2-4-14(15)23-11-13(10-17(23)24)18(25)22-8-6-21(7-9-22)12-16(19)20/h2-5,13,16H,6-12H2,1H3
InChIKeyGUCANAUYULCUAK-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.46
Rot. Bonds5

About 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one

4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one (PubChem CID 49070823) has the molecular formula C18H23F2N3O3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
PubChem CID49070823
Molecular FormulaC18H23F2N3O3
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Name4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CC(C(=O)N2CCN(CC(F)F)CC2)CC1=O
InChIInChI=1S/C18H23F2N3O3/c1-26-15-5-3-2-4-14(15)23-11-13(10-17(23)24)18(25)22-8-6-21(7-9-22)12-16(19)20/h2-5,13,16H,6-12H2,1H3
InChIKeyGUCANAUYULCUAK-UHFFFAOYSA-N
XLogP1.46
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112790414
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24624490
1-(2-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 18886001
1-[2-[4-[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55949576
(4S)-1-(2-fluorophenyl)-4-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29140373
1-(2-methoxyphenyl)-4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55340090
N,N-diethyl-1-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 52796180
4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
CID 113190760
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24680226

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one (CID 49070823) is 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one is COc1ccccc1N1CC(C(=O)N2CCN(CC(F)F)CC2)CC1=O.
What is the InChIKey of 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is GUCANAUYULCUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3/c1-26-15-5-3-2-4-14(15)23-11-13(10-17(23)24)18(25)22-8-6-21(7-9-22)12-16(19)20/h2-5,13,16H,6-12H2,1H3.
What are the key properties of 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one?
4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 367.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 49070823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).