(5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C16H20N4O4 — CID 99926778

IUPAC(5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CC(=O)N2CCC(OCc3ccccn3)CC2)N1
InChIInChI=1S/C16H20N4O4/c21-14(9-13-15(22)19-16(23)18-13)20-7-4-12(5-8-20)24-10-11-3-1-2-6-17-11/h1-3,6,12-13H,4-5,7-10H2,(H2,18,19,22,23)/t13-/m1/s1
InChIKeyOFTYSMHMOXEWLE-CYBMUJFWSA-N
MW332.36 g/mol
LogP0.19
Rot. Bonds5

About (5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

(5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 99926778) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID99926778
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name(5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CC(=O)N2CCC(OCc3ccccn3)CC2)N1
InChIInChI=1S/C16H20N4O4/c21-14(9-13-15(22)19-16(23)18-13)20-7-4-12(5-8-20)24-10-11-3-1-2-6-17-11/h1-3,6,12-13H,4-5,7-10H2,(H2,18,19,22,23)/t13-/m1/s1
InChIKeyOFTYSMHMOXEWLE-CYBMUJFWSA-N
XLogP0.19
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 118775788
5,6-dimethyl-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70752110
(5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 129475615
(5S)-5-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]imidazolidine-2,4-dione
CID 99929142
5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 56807603
5-[3-oxo-3-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione
CID 70776688
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]ethanone
CID 75383966
1-ethyl-5-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidin-2-one
CID 72865091
1-cyclopropyl-4-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70714333
N-[[(2R)-oxolan-2-yl]methyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 121496359
1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 131928531
cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 118776457

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 99926778) is (5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@H](CC(=O)N2CCC(OCc3ccccn3)CC2)N1.
What is the InChIKey of (5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is OFTYSMHMOXEWLE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O4/c21-14(9-13-15(22)19-16(23)18-13)20-7-4-12(5-8-20)24-10-11-3-1-2-6-17-11/h1-3,6,12-13H,4-5,7-10H2,(H2,18,19,22,23)/t13-/m1/s1.
What are the key properties of (5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
(5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-oxo-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99926778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).