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

C14H17N3O — CID 11345546

IUPAC5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2ccccc2)cn1C1CCNCC1
InChIInChI=1S/C14H17N3O/c18-14-16-13(11-4-2-1-3-5-11)10-17(14)12-6-8-15-9-7-12/h1-5,10,12,15H,6-9H2,(H,16,18)
InChIKeyOPCVKWIYGHICKG-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.77
Rot. Bonds2

About 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one

5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one (PubChem CID 11345546) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one
PubChem CID11345546
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2ccccc2)cn1C1CCNCC1
InChIInChI=1S/C14H17N3O/c18-14-16-13(11-4-2-1-3-5-11)10-17(14)12-6-8-15-9-7-12/h1-5,10,12,15H,6-9H2,(H,16,18)
InChIKeyOPCVKWIYGHICKG-UHFFFAOYSA-N
XLogP1.77
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one?
The IUPAC name of 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one (CID 11345546) is 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one.
What is the SMILES notation for 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one?
The canonical SMILES for 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one is O=c1[nH]c(-c2ccccc2)cn1C1CCNCC1.
What is the InChIKey of 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one?
The InChIKey is OPCVKWIYGHICKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14-16-13(11-4-2-1-3-5-11)10-17(14)12-6-8-15-9-7-12/h1-5,10,12,15H,6-9H2,(H,16,18).
What are the key properties of 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one?
5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one is sourced from PubChem (CID 11345546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).