4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione

C15H18N4O3 — CID 110703260

IUPAC4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione
SMILESO=C1NNC(=O)C1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H18N4O3/c20-13(10-12-14(21)16-17-15(12)22)19-8-6-18(7-9-19)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,21)(H,17,22)
InChIKeyMJDMOHDISGGACL-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.50
Rot. Bonds3

About 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione

4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione (PubChem CID 110703260) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione
PubChem CID110703260
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione
SMILESO=C1NNC(=O)C1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H18N4O3/c20-13(10-12-14(21)16-17-15(12)22)19-8-6-18(7-9-19)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,21)(H,17,22)
InChIKeyMJDMOHDISGGACL-UHFFFAOYSA-N
XLogP-0.50
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
CID 110703277
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
(3R,4aR,8aR)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
CID 7085433
(3S,4aS,8aR)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-4-ium-2-one
CID 11875097
(3R,4aS,8aR)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-4-ium-2-one
CID 11875095
(3R,4aR,8aS)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-4-ium-2-one
CID 7085436
2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 46294968
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;dihydrochloride
CID 119860795
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 92633834
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione
CID 110703473
2-(4-phenylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2933500

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione?
The IUPAC name of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione (CID 110703260) is 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione.
What is the SMILES notation for 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione?
The canonical SMILES for 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione is O=C1NNC(=O)C1CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione?
The InChIKey is MJDMOHDISGGACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-13(10-12-14(21)16-17-15(12)22)19-8-6-18(7-9-19)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,21)(H,17,22).
What are the key properties of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione?
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione has a molecular weight of 302.33 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione is sourced from PubChem (CID 110703260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).