1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone

C17H21N3O2 — CID 110725820

IUPAC1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(c3ncc[nH]3)CC2)cc1
InChIInChI=1S/C17H21N3O2/c1-13-2-4-15(5-3-13)22-12-16(21)20-10-6-14(7-11-20)17-18-8-9-19-17/h2-5,8-9,14H,6-7,10-12H2,1H3,(H,18,19)
InChIKeyKLSOUOYFLLJFRI-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.50
Rot. Bonds4

About 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone

1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 110725820) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID110725820
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(c3ncc[nH]3)CC2)cc1
InChIInChI=1S/C17H21N3O2/c1-13-2-4-15(5-3-13)22-12-16(21)20-10-6-14(7-11-20)17-18-8-9-19-17/h2-5,8-9,14H,6-7,10-12H2,1H3,(H,18,19)
InChIKeyKLSOUOYFLLJFRI-UHFFFAOYSA-N
XLogP2.50
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121165003
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110423701
1-(5-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246426
3-chloro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110480830
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone
CID 167945995
2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110866981
2-(4-methylphenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 120833369
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90493104
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(4-methylphenoxy)ethanone
CID 110798942

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone (CID 110725820) is 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCC(c3ncc[nH]3)CC2)cc1.
What is the InChIKey of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is KLSOUOYFLLJFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-2-4-15(5-3-13)22-12-16(21)20-10-6-14(7-11-20)17-18-8-9-19-17/h2-5,8-9,14H,6-7,10-12H2,1H3,(H,18,19).
What are the key properties of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 110725820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).