1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one

C22H26N4O3 — CID 55429669

IUPAC1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one
SMILESO=C(COc1ccc(N2CCCC2=O)cc1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H26N4O3/c27-21-2-1-11-26(21)19-3-5-20(6-4-19)29-17-22(28)25-14-12-24(13-15-25)16-18-7-9-23-10-8-18/h3-10H,1-2,11-17H2
InChIKeyTXDDNZNOGSELKY-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.93
Rot. Bonds6

About 1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one

1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one (PubChem CID 55429669) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one
PubChem CID55429669
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one
SMILESO=C(COc1ccc(N2CCCC2=O)cc1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H26N4O3/c27-21-2-1-11-26(21)19-3-5-20(6-4-19)29-17-22(28)25-14-12-24(13-15-25)16-18-7-9-23-10-8-18/h3-10H,1-2,11-17H2
InChIKeyTXDDNZNOGSELKY-UHFFFAOYSA-N
XLogP1.93
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 39867855
2-(4-chlorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52988489
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 9226254
1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 119646587
1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one
CID 9255742
2-(4-chlorophenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984309
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9041718
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 27554751
1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 47778264
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
2-[4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 138380921
N-(3-methylbutan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51228621

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one (CID 55429669) is 1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one is O=C(COc1ccc(N2CCCC2=O)cc1)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one?
The InChIKey is TXDDNZNOGSELKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-21-2-1-11-26(21)19-3-5-20(6-4-19)29-17-22(28)25-14-12-24(13-15-25)16-18-7-9-23-10-8-18/h3-10H,1-2,11-17H2.
What are the key properties of 1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one?
1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one has a molecular weight of 394.48 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 55429669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).