3-piperidin-4-yl-1H-imidazol-2-one

C8H13N3O — CID 12850602

IUPAC3-piperidin-4-yl-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1CCNCC1
InChIInChI=1S/C8H13N3O/c12-8-10-5-6-11(8)7-1-3-9-4-2-7/h5-7,9H,1-4H2,(H,10,12)
InChIKeyZYKUMBAVXKKVKL-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.10
Rot. Bonds1

About 3-piperidin-4-yl-1H-imidazol-2-one

3-piperidin-4-yl-1H-imidazol-2-one (PubChem CID 12850602) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-piperidin-4-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-piperidin-4-yl-1H-imidazol-2-one
PubChem CID12850602
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-piperidin-4-yl-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1CCNCC1
InChIInChI=1S/C8H13N3O/c12-8-10-5-6-11(8)7-1-3-9-4-2-7/h5-7,9H,1-4H2,(H,10,12)
InChIKeyZYKUMBAVXKKVKL-UHFFFAOYSA-N
XLogP0.10
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1H-imidazol-2-one?
The IUPAC name of 3-piperidin-4-yl-1H-imidazol-2-one (CID 12850602) is 3-piperidin-4-yl-1H-imidazol-2-one.
What is the SMILES notation for 3-piperidin-4-yl-1H-imidazol-2-one?
The canonical SMILES for 3-piperidin-4-yl-1H-imidazol-2-one is O=c1[nH]ccn1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-1H-imidazol-2-one?
The InChIKey is ZYKUMBAVXKKVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-8-10-5-6-11(8)7-1-3-9-4-2-7/h5-7,9H,1-4H2,(H,10,12).
What are the key properties of 3-piperidin-4-yl-1H-imidazol-2-one?
3-piperidin-4-yl-1H-imidazol-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1H-imidazol-2-one is sourced from PubChem (CID 12850602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).