3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one

C16H19N3O3 — CID 112531172

IUPAC3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one
SMILESO=C(c1c[nH]c(=O)n1Cc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C16H19N3O3/c20-13-6-8-18(9-7-13)15(21)14-10-17-16(22)19(14)11-12-4-2-1-3-5-12/h1-5,10,13,20H,6-9,11H2,(H,17,22)
InChIKeyMUGNZNOFKKOZDQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.82
Rot. Bonds3

About 3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one

3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one (PubChem CID 112531172) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one
PubChem CID112531172
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one
SMILESO=C(c1c[nH]c(=O)n1Cc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C16H19N3O3/c20-13-6-8-18(9-7-13)15(21)14-10-17-16(22)19(14)11-12-4-2-1-3-5-12/h1-5,10,13,20H,6-9,11H2,(H,17,22)
InChIKeyMUGNZNOFKKOZDQ-UHFFFAOYSA-N
XLogP0.82
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3-benzyl-2-oxo-1H-imidazole-4-carbonyl)piperazine-1-carboxylate
CID 84576657
3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one
CID 84576543
3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide
CID 84576643
4-(4-aminoindole-1-carbonyl)-3-benzyl-1H-imidazol-2-one
CID 112526275
(9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 72721233
(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
5-amino-3-benzyl-1H-pyrimidine-2,4-dione
CID 15659209
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941
(3S)-1-(1-benzylindole-2-carbonyl)pyrrolidine-3-carboxamide
CID 94512799
3-benzyl-2-oxo-N-(4-phenoxyphenyl)-1H-imidazole-4-carboxamide
CID 112523899
3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112522455
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one?
The IUPAC name of 3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one (CID 112531172) is 3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one?
The canonical SMILES for 3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one is O=C(c1c[nH]c(=O)n1Cc1ccccc1)N1CCC(O)CC1.
What is the InChIKey of 3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one?
The InChIKey is MUGNZNOFKKOZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-13-6-8-18(9-7-13)15(21)14-10-17-16(22)19(14)11-12-4-2-1-3-5-12/h1-5,10,13,20H,6-9,11H2,(H,17,22).
What are the key properties of 3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one?
3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one has a molecular weight of 301.35 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one is sourced from PubChem (CID 112531172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).