1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C21H24N4O2 — CID 110373788

IUPAC1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2C(=O)CCC2C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-16-5-7-17(8-6-16)25-18(9-10-20(25)26)21(27)24-14-12-23(13-15-24)19-4-2-3-11-22-19/h2-8,11,18H,9-10,12-15H2,1H3
InChIKeyQIOLAFSBOQFOTD-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.23
Rot. Bonds3

About 1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 110373788) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID110373788
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2C(=O)CCC2C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-16-5-7-17(8-6-16)25-18(9-10-20(25)26)21(27)24-14-12-23(13-15-24)19-4-2-3-11-22-19/h2-8,11,18H,9-10,12-15H2,1H3
InChIKeyQIOLAFSBOQFOTD-UHFFFAOYSA-N
XLogP2.23
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373773
1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373917
1-(4-methoxyphenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110374158
1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110412075
1,6-bis(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-2-one
CID 15997008
2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 3931520
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
(2R)-5-oxo-1-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 129395627
(7R)-6-(4-methylphenyl)-7-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95114135
5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110416840
(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 167400923
1-(4-methylphenyl)-4-pyridin-2-yl-1,4-diazepane
CID 142175555

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 110373788) is 1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(N2C(=O)CCC2C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is QIOLAFSBOQFOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-5-7-17(8-6-16)25-18(9-10-20(25)26)21(27)24-14-12-23(13-15-24)19-4-2-3-11-22-19/h2-8,11,18H,9-10,12-15H2,1H3.
What are the key properties of 1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110373788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).