1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C22H26N4O2 — CID 51143749

IUPAC1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCN(c3ccccn3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C22H26N4O2/c27-21-16-19(17-26(21)11-9-18-6-2-1-3-7-18)22(28)25-14-12-24(13-15-25)20-8-4-5-10-23-20/h1-8,10,19H,9,11-17H2
InChIKeyZOUIJHSUQNHJGD-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.82
Rot. Bonds5

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

1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 51143749) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID51143749
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCN(c3ccccn3)CC2)CN1CCc1ccccc1
InChIInChI=1S/C22H26N4O2/c27-21-16-19(17-26(21)11-9-18-6-2-1-3-7-18)22(28)25-14-12-24(13-15-25)20-8-4-5-10-23-20/h1-8,10,19H,9,11-17H2
InChIKeyZOUIJHSUQNHJGD-UHFFFAOYSA-N
XLogP1.82
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113184235
1-(2-phenylethyl)-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51262946
4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 53181871
4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
CID 113185297
(4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 39911499
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884
4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 56544561
4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 55918774
(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9318939
N-cyclopropyl-2-[4-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 78810208
4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 15996954
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 51143749) is 1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCN(c3ccccn3)CC2)CN1CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is ZOUIJHSUQNHJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21-16-19(17-26(21)11-9-18-6-2-1-3-7-18)22(28)25-14-12-24(13-15-25)20-8-4-5-10-23-20/h1-8,10,19H,9,11-17H2.
What are the key properties of 1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 378.48 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 51143749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).