3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one

C14H17N3O — CID 117360253

IUPAC3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(C2CCCCN2)cc1
InChIInChI=1S/C14H17N3O/c18-14-16-9-10-17(14)12-6-4-11(5-7-12)13-3-1-2-8-15-13/h4-7,9-10,13,15H,1-3,8H2,(H,16,18)
InChIKeyDFOZCSDMYUBPCF-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.98
Rot. Bonds2

About 3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one

3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one (PubChem CID 117360253) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one
PubChem CID117360253
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(C2CCCCN2)cc1
InChIInChI=1S/C14H17N3O/c18-14-16-9-10-17(14)12-6-4-11(5-7-12)13-3-1-2-8-15-13/h4-7,9-10,13,15H,1-3,8H2,(H,16,18)
InChIKeyDFOZCSDMYUBPCF-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one (CID 117360253) is 3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one is O=c1[nH]ccn1-c1ccc(C2CCCCN2)cc1.
What is the InChIKey of 3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one?
The InChIKey is DFOZCSDMYUBPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14-16-9-10-17(14)12-6-4-11(5-7-12)13-3-1-2-8-15-13/h4-7,9-10,13,15H,1-3,8H2,(H,16,18).
What are the key properties of 3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one?
3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 117360253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).