(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione

C17H20N4O4 — CID 94150710

IUPAC(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)N1
InChIInChI=1S/C17H20N4O4/c22-14(7-6-13-15(23)19-17(25)18-13)20-8-10-21(11-9-20)16(24)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,18,19,23,25)/t13-/m1/s1
InChIKeyVUUVTABRTQUFNM-CYBMUJFWSA-N
MW344.37 g/mol
LogP-0.04
Rot. Bonds4

About (5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione

(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 94150710) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID94150710
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)N1
InChIInChI=1S/C17H20N4O4/c22-14(7-6-13-15(23)19-17(25)18-13)20-8-10-21(11-9-20)16(24)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,18,19,23,25)/t13-/m1/s1
InChIKeyVUUVTABRTQUFNM-CYBMUJFWSA-N
XLogP-0.04
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164621686
5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 164610328
(5R)-5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 25355650
2-[4-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 26004165
5-[3-oxo-3-(4-pyridin-3-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 70736756
5-[3-oxo-3-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione
CID 70776688
(5S)-5-[3-[4-[2-(azepan-1-yl)acetyl]-1,4-diazepan-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 134700248
5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 42910412
(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97114558
(5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione
CID 92575708
(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione
CID 170509553
(3R)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 51829815

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione (CID 94150710) is (5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@H](CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)N1.
What is the InChIKey of (5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is VUUVTABRTQUFNM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-14(7-6-13-15(23)19-17(25)18-13)20-8-10-21(11-9-20)16(24)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,18,19,23,25)/t13-/m1/s1.
What are the key properties of (5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione?
(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 94150710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).