4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one

C9H13N3O3 — CID 43502670

IUPAC4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCCC(O)C1
InChIInChI=1S/C9H13N3O3/c13-6-2-1-3-12(5-6)8(14)7-4-10-9(15)11-7/h4,6,13H,1-3,5H2,(H2,10,11,15)
InChIKeyQLYAHGBQGGYKBT-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.70
Rot. Bonds1

About 4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one

4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one (PubChem CID 43502670) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
PubChem CID43502670
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCCC(O)C1
InChIInChI=1S/C9H13N3O3/c13-6-2-1-3-12(5-6)8(14)7-4-10-9(15)11-7/h4,6,13H,1-3,5H2,(H2,10,11,15)
InChIKeyQLYAHGBQGGYKBT-UHFFFAOYSA-N
XLogP-0.70
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one (CID 43502670) is 4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CCCC(O)C1.
What is the InChIKey of 4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one?
The InChIKey is QLYAHGBQGGYKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-6-2-1-3-12(5-6)8(14)7-4-10-9(15)11-7/h4,6,13H,1-3,5H2,(H2,10,11,15).
What are the key properties of 4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one?
4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one has a molecular weight of 211.22 g/mol, XLogP of -0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypiperidine-1-carbonyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 43502670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).