(5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione

C14H22N4O3 — CID 131942530

IUPAC(5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CCC(=O)N2CC(N3CCCCC3)C2)N1
InChIInChI=1S/C14H22N4O3/c19-12(5-4-11-13(20)16-14(21)15-11)18-8-10(9-18)17-6-2-1-3-7-17/h10-11H,1-9H2,(H2,15,16,20,21)/t11-/m0/s1
InChIKeyWPDRCMIDFALIFD-NSHDSACASA-N
MW294.35 g/mol
LogP-0.33
Rot. Bonds4

About (5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione

(5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione (PubChem CID 131942530) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione
PubChem CID131942530
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name(5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CCC(=O)N2CC(N3CCCCC3)C2)N1
InChIInChI=1S/C14H22N4O3/c19-12(5-4-11-13(20)16-14(21)15-11)18-8-10(9-18)17-6-2-1-3-7-17/h10-11H,1-9H2,(H2,15,16,20,21)/t11-/m0/s1
InChIKeyWPDRCMIDFALIFD-NSHDSACASA-N
XLogP-0.33
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-[3-[4-[2-(azepan-1-yl)acetyl]-1,4-diazepan-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 134700248
(5S)-5-[3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 131945019
(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 94150710
(5S)-5-[3-[(3S,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 137338254
cyclopropane;5-[3-(7-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 156822959
(5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 95779136
5-[3-(7-chloro-8-fluoro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]imidazolidine-2,4-dione;cyclopropane
CID 156823267
5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 156823227
5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164621686
(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97114558
(5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97121739
5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 164610328

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione (CID 131942530) is (5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@H](CCC(=O)N2CC(N3CCCCC3)C2)N1.
What is the InChIKey of (5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is WPDRCMIDFALIFD-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O3/c19-12(5-4-11-13(20)16-14(21)15-11)18-8-10(9-18)17-6-2-1-3-7-17/h10-11H,1-9H2,(H2,15,16,20,21)/t11-/m0/s1.
What are the key properties of (5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione?
(5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 294.35 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-oxo-3-(3-piperidin-1-ylazetidin-1-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 131942530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).