4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

C10H15N3O3 — CID 60956909

IUPAC4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCC(CO)CC1
InChIInChI=1S/C10H15N3O3/c14-6-7-1-3-13(4-2-7)9(15)8-5-11-10(16)12-8/h5,7,14H,1-4,6H2,(H2,11,12,16)
InChIKeyLJQNOHWPYYXXMS-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.45
Rot. Bonds2

About 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 60956909) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID60956909
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCC(CO)CC1
InChIInChI=1S/C10H15N3O3/c14-6-7-1-3-13(4-2-7)9(15)8-5-11-10(16)12-8/h5,7,14H,1-4,6H2,(H2,11,12,16)
InChIKeyLJQNOHWPYYXXMS-UHFFFAOYSA-N
XLogP-0.45
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 60956909) is 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CCC(CO)CC1.
What is the InChIKey of 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is LJQNOHWPYYXXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-6-7-1-3-13(4-2-7)9(15)8-5-11-10(16)12-8/h5,7,14H,1-4,6H2,(H2,11,12,16).
What are the key properties of 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 225.25 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 60956909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).