4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one

C17H21N3O2 — CID 8548443

IUPAC4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one
SMILESO=C1CN(CC(=O)N2CC=C(c3ccccc3)CC2)CCN1
InChIInChI=1S/C17H21N3O2/c21-16-12-19(11-8-18-16)13-17(22)20-9-6-15(7-10-20)14-4-2-1-3-5-14/h1-6H,7-13H2,(H,18,21)
InChIKeyMHCMGHJQYJLITF-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.73
Rot. Bonds3

About 4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one

4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one (PubChem CID 8548443) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one
PubChem CID8548443
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one
SMILESO=C1CN(CC(=O)N2CC=C(c3ccccc3)CC2)CCN1
InChIInChI=1S/C17H21N3O2/c21-16-12-19(11-8-18-16)13-17(22)20-9-6-15(7-10-20)14-4-2-1-3-5-14/h1-6H,7-13H2,(H,18,21)
InChIKeyMHCMGHJQYJLITF-UHFFFAOYSA-N
XLogP0.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 50959855
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8786562
4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094213
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-2-one
CID 41304106
3-amino-3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 64685858
(1R,2R,6S,7R)-4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98151273
N'-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263779
1-(4-methylsulfonylpiperazin-1-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 17430046
(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione
CID 8576335
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] acetate
CID 140988563
(4S)-4-methyl-5-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 8555232
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8559384

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one (CID 8548443) is 4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one is O=C1CN(CC(=O)N2CC=C(c3ccccc3)CC2)CCN1.
What is the InChIKey of 4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one?
The InChIKey is MHCMGHJQYJLITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16-12-19(11-8-18-16)13-17(22)20-9-6-15(7-10-20)14-4-2-1-3-5-14/h1-6H,7-13H2,(H,18,21).
What are the key properties of 4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one?
4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one has a molecular weight of 299.37 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 8548443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).