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

C16H21N3O3 — CID 120733049

IUPAC5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccccc1C1CNCCN1C(=O)C1CCC(=O)N1
InChIInChI=1S/C16H21N3O3/c1-22-14-5-3-2-4-11(14)13-10-17-8-9-19(13)16(21)12-6-7-15(20)18-12/h2-5,12-13,17H,6-10H2,1H3,(H,18,20)
InChIKeyPODNCPJXHULWJD-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.45
Rot. Bonds3

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

5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 120733049) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID120733049
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccccc1C1CNCCN1C(=O)C1CCC(=O)N1
InChIInChI=1S/C16H21N3O3/c1-22-14-5-3-2-4-11(14)13-10-17-8-9-19(13)16(21)12-6-7-15(20)18-12/h2-5,12-13,17H,6-10H2,1H3,(H,18,20)
InChIKeyPODNCPJXHULWJD-UHFFFAOYSA-N
XLogP0.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one;hydrochloride
CID 120735018
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120733424
[2-(2-methoxyphenyl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 120733877
1-tert-butyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120735351
1-[2-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 120732946
(5S)-5-[(2R)-2-methylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 94545844
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 120733310
1-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 120734234
5-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 119470987
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 120733049) is 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is COc1ccccc1C1CNCCN1C(=O)C1CCC(=O)N1.
What is the InChIKey of 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is PODNCPJXHULWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-22-14-5-3-2-4-11(14)13-10-17-8-9-19(13)16(21)12-6-7-15(20)18-12/h2-5,12-13,17H,6-10H2,1H3,(H,18,20).
What are the key properties of 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 303.36 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 120733049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).