1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one

C21H24N4O2 — CID 9255742

IUPAC1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one
SMILESO=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C21H24N4O2/c26-20-2-1-11-25(20)19-5-3-17(4-6-19)16-21(27)24-14-12-23(13-15-24)18-7-9-22-10-8-18/h3-10H,1-2,11-16H2
InChIKeyBKFWNQFSANJTDO-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.10
Rot. Bonds4

About 1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one

1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one (PubChem CID 9255742) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one
PubChem CID9255742
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one
SMILESO=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C21H24N4O2/c26-20-2-1-11-25(20)19-5-3-17(4-6-19)16-21(27)24-14-12-23(13-15-24)18-7-9-22-10-8-18/h3-10H,1-2,11-16H2
InChIKeyBKFWNQFSANJTDO-UHFFFAOYSA-N
XLogP2.10
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
1-(4-phenyl-1,4-diazepan-1-yl)-2-pyridin-4-ylethanone
CID 91781163
1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one
CID 55429669
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157169
3-[(3S)-1-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]piperidin-3-yl]propanoic acid
CID 124700484
1-(4-pyridin-4-ylpiperazin-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione
CID 9255229
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one
CID 94487253
1-[4-[2-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one
CID 94487256
1-(4-piperazin-1-ylphenyl)pyrrolidin-2-one
CID 82513628
1-[4-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one;hydrochloride
CID 119595857

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one (CID 9255742) is 1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one is O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is BKFWNQFSANJTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20-2-1-11-25(20)19-5-3-17(4-6-19)16-21(27)24-14-12-23(13-15-24)18-7-9-22-10-8-18/h3-10H,1-2,11-16H2.
What are the key properties of 1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one?
1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 9255742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).