1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one

C15H18FNO2 — CID 79549037

IUPAC1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1ccccc1F
InChIInChI=1S/C15H18FNO2/c1-11(18)10-12-6-4-5-9-17(12)15(19)13-7-2-3-8-14(13)16/h2-3,7-8,12H,4-6,9-10H2,1H3
InChIKeyDTFUXTHBTSEQFR-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.80
Rot. Bonds3

About 1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one

1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one (PubChem CID 79549037) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one
PubChem CID79549037
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1ccccc1F
InChIInChI=1S/C15H18FNO2/c1-11(18)10-12-6-4-5-9-17(12)15(19)13-7-2-3-8-14(13)16/h2-3,7-8,12H,4-6,9-10H2,1H3
InChIKeyDTFUXTHBTSEQFR-UHFFFAOYSA-N
XLogP2.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(5-chloro-2-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79540783
1-[1-(4-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one
CID 79549165
1-[1-(5-bromo-2-fluorobenzoyl)piperidin-2-yl]propan-2-one
CID 79549531
1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 107014982
1-[1-(4-bromo-2-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79541551
1-[1-(4-chloro-2,5-difluorobenzoyl)piperidin-2-yl]propan-2-one
CID 82772459
1-[1-(4-fluoro-2-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107014985
1-[1-(5-fluoro-2-methylbenzoyl)azepan-2-yl]propan-2-one
CID 79541273
methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 81499432
1-[1-(2,6-dihydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107688771
1-[1-(4-bromo-3-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79540685
[2-(bromomethyl)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 80661009

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one (CID 79549037) is 1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1C(=O)c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one?
The InChIKey is DTFUXTHBTSEQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-11(18)10-12-6-4-5-9-17(12)15(19)13-7-2-3-8-14(13)16/h2-3,7-8,12H,4-6,9-10H2,1H3.
What are the key properties of 1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one?
1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one has a molecular weight of 263.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79549037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).