5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one

C15H19N3O2 — CID 18321473

IUPAC5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one
SMILESCOc1ccc(-c2cn(C3CCNCC3)c(=O)[nH]2)cc1
InChIInChI=1S/C15H19N3O2/c1-20-13-4-2-11(3-5-13)14-10-18(15(19)17-14)12-6-8-16-9-7-12/h2-5,10,12,16H,6-9H2,1H3,(H,17,19)
InChIKeyBPCKFCRHZOTOSD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.78
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one

5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one (PubChem CID 18321473) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one
PubChem CID18321473
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one
SMILESCOc1ccc(-c2cn(C3CCNCC3)c(=O)[nH]2)cc1
InChIInChI=1S/C15H19N3O2/c1-20-13-4-2-11(3-5-13)14-10-18(15(19)17-14)12-6-8-16-9-7-12/h2-5,10,12,16H,6-9H2,1H3,(H,17,19)
InChIKeyBPCKFCRHZOTOSD-UHFFFAOYSA-N
XLogP1.78
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one (CID 18321473) is 5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one is COc1ccc(-c2cn(C3CCNCC3)c(=O)[nH]2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one?
The InChIKey is BPCKFCRHZOTOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-13-4-2-11(3-5-13)14-10-18(15(19)17-14)12-6-8-16-9-7-12/h2-5,10,12,16H,6-9H2,1H3,(H,17,19).
What are the key properties of 5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one?
5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one is sourced from PubChem (CID 18321473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).