5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C16H21N3O3 — CID 14053707

IUPAC5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C16H21N3O3/c1-22-14-5-3-2-4-13(14)18-8-10-19(11-9-18)16(21)12-6-7-15(20)17-12/h2-5,12H,6-11H2,1H3,(H,17,20)
InChIKeyGGZYBQHPZMZTCA-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.62
Rot. Bonds3

About 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 14053707) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID14053707
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C16H21N3O3/c1-22-14-5-3-2-4-13(14)18-8-10-19(11-9-18)16(21)12-6-7-15(20)17-12/h2-5,12H,6-11H2,1H3,(H,17,20)
InChIKeyGGZYBQHPZMZTCA-UHFFFAOYSA-N
XLogP0.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 125118026
[(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 41024311
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109139041
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 109134181
(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one
CID 51894203
[4-(2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119826511
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 56922329
5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110689681
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9335607
tert-butyl 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 9034002

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 14053707) is 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is COc1ccccc1N1CCN(C(=O)C2CCC(=O)N2)CC1.
What is the InChIKey of 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is GGZYBQHPZMZTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-22-14-5-3-2-4-13(14)18-8-10-19(11-9-18)16(21)12-6-7-15(20)17-12/h2-5,12H,6-11H2,1H3,(H,17,20).
What are the key properties of 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 303.36 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 14053707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).