3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

C18H24N4O4 — CID 99946774

IUPAC3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCC([C@@H](O)c3ccccn3)CC2)C1=O
InChIInChI=1S/C18H24N4O4/c1-18(2)16(25)22(17(26)20-18)11-14(23)21-9-6-12(7-10-21)15(24)13-5-3-4-8-19-13/h3-5,8,12,15,24H,6-7,9-11H2,1-2H3,(H,20,26)/t15-/m1/s1
InChIKeyFIBRWPVHPGTPBP-OAHLLOKOSA-N
MW360.41 g/mol
LogP0.68
Rot. Bonds4

About 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 99946774) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID99946774
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCC([C@@H](O)c3ccccn3)CC2)C1=O
InChIInChI=1S/C18H24N4O4/c1-18(2)16(25)22(17(26)20-18)11-14(23)21-9-6-12(7-10-21)15(24)13-5-3-4-8-19-13/h3-5,8,12,15,24H,6-7,9-11H2,1-2H3,(H,20,26)/t15-/m1/s1
InChIKeyFIBRWPVHPGTPBP-OAHLLOKOSA-N
XLogP0.68
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494
1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
CID 124758560
1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
CID 124758561
2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
CID 99930209
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
CID 118787314
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
CID 124753532
3-(2-ethylimidazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 131933415
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 91839918
3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66291672
2H-benzotriazol-5-yl-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 99937481
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 91789092
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46511012

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 99946774) is 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(=O)N2CCC([C@@H](O)c3ccccn3)CC2)C1=O.
What is the InChIKey of 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is FIBRWPVHPGTPBP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-18(2)16(25)22(17(26)20-18)11-14(23)21-9-6-12(7-10-21)15(24)13-5-3-4-8-19-13/h3-5,8,12,15,24H,6-7,9-11H2,1-2H3,(H,20,26)/t15-/m1/s1.
What are the key properties of 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 360.41 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 99946774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).