2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone

C21H25FN2O2 — CID 110233569

IUPAC2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone
SMILESCC1CCc2noc(C3CCN(C(=O)Cc4ccccc4F)CC3)c2C1
InChIInChI=1S/C21H25FN2O2/c1-14-6-7-19-17(12-14)21(26-23-19)15-8-10-24(11-9-15)20(25)13-16-4-2-3-5-18(16)22/h2-5,14-15H,6-13H2,1H3
InChIKeyZQPDVZSXTSETTG-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.89
Rot. Bonds3

About 2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 110233569) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone
PubChem CID110233569
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone
SMILESCC1CCc2noc(C3CCN(C(=O)Cc4ccccc4F)CC3)c2C1
InChIInChI=1S/C21H25FN2O2/c1-14-6-7-19-17(12-14)21(26-23-19)15-8-10-24(11-9-15)20(25)13-16-4-2-3-5-18(16)22/h2-5,14-15H,6-13H2,1H3
InChIKeyZQPDVZSXTSETTG-UHFFFAOYSA-N
XLogP3.89
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone
CID 110233596
4-methyl-N-[2-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
CID 110233591
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
CID 112536906
(4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 51593241
2-(2-fluorophenyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52952084
2-(2-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
CID 173160749
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119261261
2-(2-fluorophenyl)-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122336125
2-(2-fluorophenyl)-1-[4-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 92599637
2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670042
1-(4-amino-3-methylpiperidin-1-yl)-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119260930

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone (CID 110233569) is 2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone is CC1CCc2noc(C3CCN(C(=O)Cc4ccccc4F)CC3)c2C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is ZQPDVZSXTSETTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-14-6-7-19-17(12-14)21(26-23-19)15-8-10-24(11-9-15)20(25)13-16-4-2-3-5-18(16)22/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 356.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110233569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).