(5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione

C15H22N4O3 — CID 97318217

IUPAC(5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
SMILESCCN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3ccon3)C2)C1=O
InChIInChI=1S/C15H22N4O3/c1-3-19-13(20)15(2,16-14(19)21)11-5-4-7-18(9-11)10-12-6-8-22-17-12/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,16,21)/t11-,15-/m1/s1
InChIKeyABSQCXNAFHRBHW-IAQYHMDHSA-N
MW306.37 g/mol
LogP1.22
Rot. Bonds4

About (5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione

(5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 97318217) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID97318217
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
SMILESCCN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3ccon3)C2)C1=O
InChIInChI=1S/C15H22N4O3/c1-3-19-13(20)15(2,16-14(19)21)11-5-4-7-18(9-11)10-12-6-8-22-17-12/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,16,21)/t11-,15-/m1/s1
InChIKeyABSQCXNAFHRBHW-IAQYHMDHSA-N
XLogP1.22
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 75422495
5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione
CID 75422498
N-cyclopropyl-2-[(3R)-3-[(4S)-1-ethyl-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]acetamide
CID 97217656
(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97084075
(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 96513816
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride
CID 119927525
(5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 97084068
(5S)-5-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 129490445
5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-5-methylimidazolidine-2,4-dione
CID 167903123
(5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 96513827
5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927210
(5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97099056

Frequently Asked Questions

What is the IUPAC name of (5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione (CID 97318217) is (5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione is CCN1C(=O)N[C@](C)([C@@H]2CCCN(Cc3ccon3)C2)C1=O.
What is the InChIKey of (5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is ABSQCXNAFHRBHW-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-19-13(20)15(2,16-14(19)21)11-5-4-7-18(9-11)10-12-6-8-22-17-12/h6,8,11H,3-5,7,9-10H2,1-2H3,(H,16,21)/t11-,15-/m1/s1.
What are the key properties of (5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione?
(5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 306.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-ethyl-5-methyl-5-[(3R)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 97318217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).