1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone

C17H21N3O2 — CID 16671828

IUPAC1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone
SMILESCn1ccnc1C1(O)CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H21N3O2/c1-19-12-9-18-16(19)17(22)7-10-20(11-8-17)15(21)13-14-5-3-2-4-6-14/h2-6,9,12,22H,7-8,10-11,13H2,1H3
InChIKeyLYSXDGCYDCEXBG-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.47
Rot. Bonds3

About 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone

1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone (PubChem CID 16671828) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone
PubChem CID16671828
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone
SMILESCn1ccnc1C1(O)CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H21N3O2/c1-19-12-9-18-16(19)17(22)7-10-20(11-8-17)15(21)13-14-5-3-2-4-6-14/h2-6,9,12,22H,7-8,10-11,13H2,1H3
InChIKeyLYSXDGCYDCEXBG-UHFFFAOYSA-N
XLogP1.47
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Diphenyl-4-(2-propylimidazol-1-yl)butanamide
CID 9928249
4-(2-Tert-butylimidazol-1-yl)-2,2-diphenylbutanamide
CID 15491327
4-(2-ethyl-1H-imidazol-1-yl)-2,2-diphenylbutanamide
CID 15871722
N,N-dimethyl-4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide
CID 44308675
6-(2-Methylimidazol-1-yl)-2,2-diphenylhexanamide
CID 44308905
7-(2-Methylimidazol-1-yl)-2,2-diphenylheptanamide
CID 44308921
rac-1-(2-((1H-imidazol-1-yl)methyl)morpholino)-2-(4-fluorophenyl)ethanone
CID 46960541
N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-3-piperidinecarboxamide
CID 45200288
1-[3-(2-Cyclobutyl-5-methyl-1H-imidazol-1-YL)piperidin-1-YL]-4-phenylbutan-1-one
CID 124046322
1-Azolyl-4-phenyl-2-butanone, 19
CID 57339877
cis-(1S,2R)-N,N-diethyl-2-[(2-methylimidazol-1-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 10064054
1-[4-Hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 16667945

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone (CID 16671828) is 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone is Cn1ccnc1C1(O)CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is LYSXDGCYDCEXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19-12-9-18-16(19)17(22)7-10-20(11-8-17)15(21)13-14-5-3-2-4-6-14/h2-6,9,12,22H,7-8,10-11,13H2,1H3.
What are the key properties of 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone?
1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 299.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 16671828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).