[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone

C22H23N3O2 — CID 156810992

IUPAC[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(COc2ccccc2-c2cnc[nH]2)cc1)N1CCCCC1
InChIInChI=1S/C22H23N3O2/c26-22(25-12-4-1-5-13-25)18-10-8-17(9-11-18)15-27-21-7-3-2-6-19(21)20-14-23-16-24-20/h2-3,6-11,14,16H,1,4-5,12-13,15H2,(H,23,24)
InChIKeyRIADISGMHJBQLF-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.28
Rot. Bonds5

About [4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone

[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 156810992) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID156810992
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(COc2ccccc2-c2cnc[nH]2)cc1)N1CCCCC1
InChIInChI=1S/C22H23N3O2/c26-22(25-12-4-1-5-13-25)18-10-8-17(9-11-18)15-27-21-7-3-2-6-19(21)20-14-23-16-24-20/h2-3,6-11,14,16H,1,4-5,12-13,15H2,(H,23,24)
InChIKeyRIADISGMHJBQLF-UHFFFAOYSA-N
XLogP4.28
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone (CID 156810992) is [4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(COc2ccccc2-c2cnc[nH]2)cc1)N1CCCCC1.
What is the InChIKey of [4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is RIADISGMHJBQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(25-12-4-1-5-13-25)18-10-8-17(9-11-18)15-27-21-7-3-2-6-19(21)20-14-23-16-24-20/h2-3,6-11,14,16H,1,4-5,12-13,15H2,(H,23,24).
What are the key properties of [4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone?
[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 361.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 156810992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).