1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one

C17H20FN3O2 — CID 119374553

IUPAC1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
SMILESNC1CCN(C(=O)CCc2ncc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C17H20FN3O2/c18-14-4-2-1-3-13(14)15-11-20-16(23-15)5-6-17(22)21-9-7-12(19)8-10-21/h1-4,11-12H,5-10,19H2
InChIKeyLTGHWFXMVSOWAQ-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.36
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one

1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one (PubChem CID 119374553) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
PubChem CID119374553
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
SMILESNC1CCN(C(=O)CCc2ncc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C17H20FN3O2/c18-14-4-2-1-3-13(14)15-11-20-16(23-15)5-6-17(22)21-9-7-12(19)8-10-21/h1-4,11-12H,5-10,19H2
InChIKeyLTGHWFXMVSOWAQ-UHFFFAOYSA-N
XLogP2.36
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119379130
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one
CID 166305757
1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021740
1-(3-aminopyrrolidin-1-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119482722
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
CID 24595519
3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid
CID 124701703
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 120656321
2-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-methylacetamide
CID 134011866
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 134040089
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 43041691
2-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 119248343
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18135516

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one (CID 119374553) is 1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one is NC1CCN(C(=O)CCc2ncc(-c3ccccc3F)o2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one?
The InChIKey is LTGHWFXMVSOWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-14-4-2-1-3-13(14)15-11-20-16(23-15)5-6-17(22)21-9-7-12(19)8-10-21/h1-4,11-12H,5-10,19H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one?
1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one has a molecular weight of 317.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one is sourced from PubChem (CID 119374553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).